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

Name: 6-[2-(1-hydroxycyclohexyl)ethynyl]pyridine-3-carboxylic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₅NO₃ — CID 169245761

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	6-[2-(1-hydroxycyclohexyl)ethynyl]pyridine-3-carboxylic acid
PubChem CID	169245761
Molecular Formula	C₁₄H₁₅NO₃
Molecular Weight	245.28 g/mol
Exact Mass	245.11
IUPAC Name	6-[2-(1-hydroxycyclohexyl)ethynyl]pyridine-3-carboxylic acid
SMILES	O=C(O)c1ccc(C#CC2(O)CCCCC2)nc1
InChI	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)
InChIKey	OYLUVQKKLIIZLO-UHFFFAOYSA-N
XLogP	1.83
TPSA	70.42 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	1
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	245.28
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

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).

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Sources

PubChem CID 169245761 — identifiers, structure, computed properties (public domain)

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