6-[2-(1-hydroxycyclohexyl)ethynyl]pyridine-3-carboxylic acid

C14H15NO3 — CID 169245761

IUPAC6-[2-(1-hydroxycyclohexyl)ethynyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C#CC2(O)CCCCC2)nc1
InChIInChI=1S/C14H15NO3/c16-13(17)11-4-5-12(15-10-11)6-9-14(18)7-2-1-3-8-14/h4-5,10,18H,1-3,7-8H2,(H,16,17)
InChIKeyOYLUVQKKLIIZLO-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.83
Rot. Bonds1

About 6-[2-(1-hydroxycyclohexyl)ethynyl]pyridine-3-carboxylic acid

6-[2-(1-hydroxycyclohexyl)ethynyl]pyridine-3-carboxylic acid (PubChem CID 169245761) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 6-[2-(1-hydroxycyclohexyl)ethynyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(1-hydroxycyclohexyl)ethynyl]pyridine-3-carboxylic acid
PubChem CID169245761
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name6-[2-(1-hydroxycyclohexyl)ethynyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C#CC2(O)CCCCC2)nc1
InChIInChI=1S/C14H15NO3/c16-13(17)11-4-5-12(15-10-11)6-9-14(18)7-2-1-3-8-14/h4-5,10,18H,1-3,7-8H2,(H,16,17)
InChIKeyOYLUVQKKLIIZLO-UHFFFAOYSA-N
XLogP1.83
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-pyridin-2-ylethynyl)cyclopentan-1-ol
CID 141392805
6-[2-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)ethynyl]pyridine-3-carboxylic acid
CID 164763898
6-(4-amino-4-oxobut-1-ynyl)pyridine-3-carboxylic acid
CID 170473118
6-(6-hydroxyhex-1-ynyl)pyridine-3-carboxylic acid
CID 160528594
6-[(1-methylsulfanylcyclohexyl)methylamino]pyridine-3-carboxylic acid
CID 114116581
6-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)selanyl]ethynyl]pyridine-3-carboxylic acid
CID 22641070
6-(1-cyanocyclobutyl)pyridine-3-carboxylic acid
CID 171935334
6-hydrazinylpyridine-3-carboxylic acid
CID 3782617
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
4-[2-(5-fluoro-2-pyridinyl)ethynyl]benzoic acid
CID 162688776
hydrazine;6-hydrazinylpyridine-3-carboxylic acid
CID 166604204
6-(cyclopentylamino)pyridine-3-carboxylic acid
CID 1447952

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-hydroxycyclohexyl)ethynyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(1-hydroxycyclohexyl)ethynyl]pyridine-3-carboxylic acid (CID 169245761) is 6-[2-(1-hydroxycyclohexyl)ethynyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(1-hydroxycyclohexyl)ethynyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(1-hydroxycyclohexyl)ethynyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(C#CC2(O)CCCCC2)nc1.
What is the InChIKey of 6-[2-(1-hydroxycyclohexyl)ethynyl]pyridine-3-carboxylic acid?
The InChIKey is OYLUVQKKLIIZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-13(17)11-4-5-12(15-10-11)6-9-14(18)7-2-1-3-8-14/h4-5,10,18H,1-3,7-8H2,(H,16,17).
What are the key properties of 6-[2-(1-hydroxycyclohexyl)ethynyl]pyridine-3-carboxylic acid?
6-[2-(1-hydroxycyclohexyl)ethynyl]pyridine-3-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-hydroxycyclohexyl)ethynyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 169245761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).