4-(cyclopentyloxymethyl)pyridine-2-carboxylic acid

C12H15NO3 — CID 63885745

IUPAC4-(cyclopentyloxymethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(COC2CCCC2)ccn1
InChIInChI=1S/C12H15NO3/c14-12(15)11-7-9(5-6-13-11)8-16-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,14,15)
InChIKeyZWUYOYXNGNNWLP-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.24
Rot. Bonds4

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

4-(cyclopentyloxymethyl)pyridine-2-carboxylic acid (PubChem CID 63885745) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(cyclopentyloxymethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopentyloxymethyl)pyridine-2-carboxylic acid
PubChem CID63885745
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name4-(cyclopentyloxymethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(COC2CCCC2)ccn1
InChIInChI=1S/C12H15NO3/c14-12(15)11-7-9(5-6-13-11)8-16-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,14,15)
InChIKeyZWUYOYXNGNNWLP-UHFFFAOYSA-N
XLogP2.24
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-cyclobutylethoxymethyl)pyridine-2-carboxylic acid
CID 106206475
4-cyclohexyloxypyridine-2-carboxylic acid
CID 43142909
4-(cycloheptyloxymethyl)-N-methylpyridin-2-amine
CID 62464617
4-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 63886141
4-(cyclohexylmethoxy)pyridine-2-carboxylic acid
CID 62382036
6-[[4-(cyclopentyloxymethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119185944
2-(cyclopentyloxymethyl)benzoic acid
CID 43473147
N-[3-(cyclohexyloxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 86849988
4-[[cyclopropyl(ethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63883028
4-[(2,6-dimethoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 63886132
4-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid
CID 63884780
5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120690264

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentyloxymethyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(cyclopentyloxymethyl)pyridine-2-carboxylic acid (CID 63885745) is 4-(cyclopentyloxymethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(cyclopentyloxymethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(cyclopentyloxymethyl)pyridine-2-carboxylic acid is O=C(O)c1cc(COC2CCCC2)ccn1.
What is the InChIKey of 4-(cyclopentyloxymethyl)pyridine-2-carboxylic acid?
The InChIKey is ZWUYOYXNGNNWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-12(15)11-7-9(5-6-13-11)8-16-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,14,15).
What are the key properties of 4-(cyclopentyloxymethyl)pyridine-2-carboxylic acid?
4-(cyclopentyloxymethyl)pyridine-2-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentyloxymethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 63885745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).