1-(4-chloro-3-pyridinyl)cyclopentane-1-carboxylic acid

C11H12ClNO2 — CID 115009157

IUPAC1-(4-chloro-3-pyridinyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2cnccc2Cl)CCCC1
InChIInChI=1S/C11H12ClNO2/c12-9-3-6-13-7-8(9)11(10(14)15)4-1-2-5-11/h3,6-7H,1-2,4-5H2,(H,14,15)
InChIKeyRHFULRRSICLMFI-UHFFFAOYSA-N
MW225.67 g/mol
LogP2.63
Rot. Bonds2

About 1-(4-chloro-3-pyridinyl)cyclopentane-1-carboxylic acid

1-(4-chloro-3-pyridinyl)cyclopentane-1-carboxylic acid (PubChem CID 115009157) has the molecular formula C11H12ClNO2 and a molecular weight of 225.67 g/mol. Its IUPAC name is 1-(4-chloro-3-pyridinyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-chloro-3-pyridinyl)cyclopentane-1-carboxylic acid
PubChem CID115009157
Molecular FormulaC11H12ClNO2
Molecular Weight225.67 g/mol
Exact Mass225.06
IUPAC Name1-(4-chloro-3-pyridinyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2cnccc2Cl)CCCC1
InChIInChI=1S/C11H12ClNO2/c12-9-3-6-13-7-8(9)11(10(14)15)4-1-2-5-11/h3,6-7H,1-2,4-5H2,(H,14,15)
InChIKeyRHFULRRSICLMFI-UHFFFAOYSA-N
XLogP2.63
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.67
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-3-pyridinyl)cyclopentane-1-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

1-isoquinolin-8-ylcyclopentane-1-carboxylic acid
CID 117355312
1-(3-ethyl-4-pyridinyl)cyclopentane-1-carboxylic acid
CID 115008860
1-(4-chloro-2,3-dihydroxyphenyl)cyclopentane-1-carboxylic acid
CID 117394993
1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid
CID 82622172
1-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexane-1-carboxylic acid
CID 82664593
1-pyrazin-2-ylcyclohexane-1-carboxylic acid
CID 96767473
1-(3-chloro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 82618262
1-(2-amino-3-chlorophenyl)cyclohexane-1-carboxylic acid
CID 106702484
1-(2-chloro-4-methylphenyl)cyclopentane-1-carboxylic acid
CID 117349897
4-(2-chlorophenyl)-1,1-dioxothiane-4-carboxylic acid
CID 146681779
1-pyridin-4-ylcyclobutane-1-carboxylic acid
CID 55265399
1-(2,5-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 83711945

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-pyridinyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(4-chloro-3-pyridinyl)cyclopentane-1-carboxylic acid (CID 115009157) is 1-(4-chloro-3-pyridinyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(4-chloro-3-pyridinyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(4-chloro-3-pyridinyl)cyclopentane-1-carboxylic acid is O=C(O)C1(c2cnccc2Cl)CCCC1.
What is the InChIKey of 1-(4-chloro-3-pyridinyl)cyclopentane-1-carboxylic acid?
The InChIKey is RHFULRRSICLMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c12-9-3-6-13-7-8(9)11(10(14)15)4-1-2-5-11/h3,6-7H,1-2,4-5H2,(H,14,15).
What are the key properties of 1-(4-chloro-3-pyridinyl)cyclopentane-1-carboxylic acid?
1-(4-chloro-3-pyridinyl)cyclopentane-1-carboxylic acid has a molecular weight of 225.67 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-pyridinyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115009157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).