Y0O

5-(3-cyclohexylprop-1-yn-1-yl)pyridine-3-carboxylic acid

Created:	2023-11-14
Last modified:	2024-02-14

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1 entries where Y0O is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	6

2D diagram of Y0O

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Chemical Component Summary
Name	5-(3-cyclohexylprop-1-yn-1-yl)pyridine-3-carboxylic acid
Systematic Name (OpenEye OEToolkits)	5-(3-cyclohexylprop-1-ynyl)pyridine-3-carboxylic acid
Formula	C₁₅ H₁₇ N O₂
Molecular Weight	243.301
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC(=O)c1cc(C#CCC2CCCCC2)cnc1
SMILES	CACTVS	3.385	OC(=O)c1cncc(c1)C#CCC2CCCCC2
SMILES	OpenEye OEToolkits	2.0.7	c1c(cncc1C(=O)O)C#CCC2CCCCC2
Canonical SMILES	CACTVS	3.385	OC(=O)c1cncc(c1)C#CCC2CCCCC2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1c(cncc1C(=O)O)C#CCC2CCCCC2
InChI	InChI	1.06	InChI=1S/C15H17NO2/c17-15(18)14-9-13(10-16-11-14)8-4-7-12-5-2-1-3-6-12/h9-12H,1-3,5-7H2,(H,17,18)
InChIKey	InChI	1.06	OIXZVVLCCMRMDO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	544412
ChEMBL	CHEMBL1502016

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