4-(2-methylcyclohexyl)oxypyridine-3-carboxylic acid

C13H17NO3 — CID 81228628

IUPAC4-(2-methylcyclohexyl)oxypyridine-3-carboxylic acid
SMILESCC1CCCCC1Oc1ccncc1C(=O)O
InChIInChI=1S/C13H17NO3/c1-9-4-2-3-5-11(9)17-12-6-7-14-8-10(12)13(15)16/h6-9,11H,2-5H2,1H3,(H,15,16)
InChIKeyGPGZCMAAMWMECS-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.74
Rot. Bonds3

About 4-(2-methylcyclohexyl)oxypyridine-3-carboxylic acid

4-(2-methylcyclohexyl)oxypyridine-3-carboxylic acid (PubChem CID 81228628) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-(2-methylcyclohexyl)oxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylcyclohexyl)oxypyridine-3-carboxylic acid
PubChem CID81228628
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-(2-methylcyclohexyl)oxypyridine-3-carboxylic acid
SMILESCC1CCCCC1Oc1ccncc1C(=O)O
InChIInChI=1S/C13H17NO3/c1-9-4-2-3-5-11(9)17-12-6-7-14-8-10(12)13(15)16/h6-9,11H,2-5H2,1H3,(H,15,16)
InChIKeyGPGZCMAAMWMECS-UHFFFAOYSA-N
XLogP2.74
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-methylcyclohexyl)oxypyridine-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

Related Compounds

[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methanamine
CID 81254856
(2-methylcyclohexyl) 4-chloropyridine-3-carboxylate
CID 116628352
4-(cyclopentylmethoxy)pyridine-3-carboxylic acid
CID 81225610
(2-methylcyclohexyl) 2-(2-methylcyclohexyl)oxybenzoate
CID 57133413
4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid
CID 81225049
2-fluoro-6-(2-methylcyclohexyl)oxybenzoic acid
CID 79511879
N-[[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]propan-1-amine
CID 81254393
4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridine-3-carboxylic acid
CID 81225352
4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 102958667
4-(cycloheptylamino)pyridine-3-carboxylic acid
CID 81232550
1-[3-fluoro-4-(2-methylcyclohexyl)oxyphenyl]ethanone
CID 43188667
3-(4-ethylcyclohexyl)oxypyridine-4-carboxylic acid
CID 81445886

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylcyclohexyl)oxypyridine-3-carboxylic acid?
The IUPAC name of 4-(2-methylcyclohexyl)oxypyridine-3-carboxylic acid (CID 81228628) is 4-(2-methylcyclohexyl)oxypyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2-methylcyclohexyl)oxypyridine-3-carboxylic acid?
The canonical SMILES for 4-(2-methylcyclohexyl)oxypyridine-3-carboxylic acid is CC1CCCCC1Oc1ccncc1C(=O)O.
What is the InChIKey of 4-(2-methylcyclohexyl)oxypyridine-3-carboxylic acid?
The InChIKey is GPGZCMAAMWMECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-4-2-3-5-11(9)17-12-6-7-14-8-10(12)13(15)16/h6-9,11H,2-5H2,1H3,(H,15,16).
What are the key properties of 4-(2-methylcyclohexyl)oxypyridine-3-carboxylic acid?
4-(2-methylcyclohexyl)oxypyridine-3-carboxylic acid has a molecular weight of 235.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylcyclohexyl)oxypyridine-3-carboxylic acid is sourced from PubChem (CID 81228628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).