4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridine-3-carboxylic acid

C14H17NO3 — CID 81225352

IUPAC4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridine-3-carboxylic acid
SMILESCC1CC=CCC1COc1ccncc1C(=O)O
InChIInChI=1S/C14H17NO3/c1-10-4-2-3-5-11(10)9-18-13-6-7-15-8-12(13)14(16)17/h2-3,6-8,10-11H,4-5,9H2,1H3,(H,16,17)
InChIKeyNGNVHRVGWPLTHS-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.76
Rot. Bonds4

About 4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridine-3-carboxylic acid

4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridine-3-carboxylic acid (PubChem CID 81225352) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridine-3-carboxylic acid
PubChem CID81225352
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridine-3-carboxylic acid
SMILESCC1CC=CCC1COc1ccncc1C(=O)O
InChIInChI=1S/C14H17NO3/c1-10-4-2-3-5-11(10)9-18-13-6-7-15-8-12(13)14(16)17/h2-3,6-8,10-11H,4-5,9H2,1H3,(H,16,17)
InChIKeyNGNVHRVGWPLTHS-UHFFFAOYSA-N
XLogP2.76
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridine-3-carboxylic acid (CID 81225352) is 4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridine-3-carboxylic acid is CC1CC=CCC1COc1ccncc1C(=O)O.
What is the InChIKey of 4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridine-3-carboxylic acid?
The InChIKey is NGNVHRVGWPLTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10-4-2-3-5-11(10)9-18-13-6-7-15-8-12(13)14(16)17/h2-3,6-8,10-11H,4-5,9H2,1H3,(H,16,17).
What are the key properties of 4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridine-3-carboxylic acid?
4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridine-3-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 81225352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).