4-(cyclohexylmethoxy)pyridine-2-carboxylic acid

C13H17NO3 — CID 62382036

IUPAC4-(cyclohexylmethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(OCC2CCCCC2)ccn1
InChIInChI=1S/C13H17NO3/c15-13(16)12-8-11(6-7-14-12)17-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,15,16)
InChIKeyPFZPFDCPCDJIMY-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.74
Rot. Bonds4

About 4-(cyclohexylmethoxy)pyridine-2-carboxylic acid

4-(cyclohexylmethoxy)pyridine-2-carboxylic acid (PubChem CID 62382036) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)pyridine-2-carboxylic acid
PubChem CID62382036
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-(cyclohexylmethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(OCC2CCCCC2)ccn1
InChIInChI=1S/C13H17NO3/c15-13(16)12-8-11(6-7-14-12)17-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,15,16)
InChIKeyPFZPFDCPCDJIMY-UHFFFAOYSA-N
XLogP2.74
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

4-cyclohexyloxypyridine-2-carboxylic acid
CID 43142909
5-(cyclopentylmethoxy)pyridine-2-carboxylic acid
CID 79794070
3-(cyclooctylmethoxy)benzoic acid
CID 58347494
[4-(cyclohexylmethoxy)-2-pyridinyl]methanamine
CID 62385639
4-(cyclohexylmethoxy)-N-ethylpyridin-2-amine
CID 113368141
[4-(2-cyclohexylethoxy)-2-pyridinyl]-piperazin-1-ylmethanone
CID 58347497
cyclohexylmethyl 4-chloropyridine-2-carboxylate
CID 55032091
4-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166602502
cyclohexylmethoxybenzene
CID 14399287
4-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166602593
4-[[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166602822
4-(cyclopentyloxymethyl)pyridine-2-carboxylic acid
CID 63885745

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 4-(cyclohexylmethoxy)pyridine-2-carboxylic acid (CID 62382036) is 4-(cyclohexylmethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(cyclohexylmethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(cyclohexylmethoxy)pyridine-2-carboxylic acid is O=C(O)c1cc(OCC2CCCCC2)ccn1.
What is the InChIKey of 4-(cyclohexylmethoxy)pyridine-2-carboxylic acid?
The InChIKey is PFZPFDCPCDJIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-13(16)12-8-11(6-7-14-12)17-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,15,16).
What are the key properties of 4-(cyclohexylmethoxy)pyridine-2-carboxylic acid?
4-(cyclohexylmethoxy)pyridine-2-carboxylic acid has a molecular weight of 235.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 62382036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).