4-chloro-6-cyclopentyl-2-methylpyridine-3-carboxylic acid

C12H14ClNO2 — CID 175549709

IUPAC4-chloro-6-cyclopentyl-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(C2CCCC2)cc(Cl)c1C(=O)O
InChIInChI=1S/C12H14ClNO2/c1-7-11(12(15)16)9(13)6-10(14-7)8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,15,16)
InChIKeyPRBNRUPFORJBFI-UHFFFAOYSA-N
MW239.70 g/mol
LogP3.40
Rot. Bonds2

About 4-chloro-6-cyclopentyl-2-methylpyridine-3-carboxylic acid

4-chloro-6-cyclopentyl-2-methylpyridine-3-carboxylic acid (PubChem CID 175549709) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 4-chloro-6-cyclopentyl-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-6-cyclopentyl-2-methylpyridine-3-carboxylic acid
PubChem CID175549709
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name4-chloro-6-cyclopentyl-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(C2CCCC2)cc(Cl)c1C(=O)O
InChIInChI=1S/C12H14ClNO2/c1-7-11(12(15)16)9(13)6-10(14-7)8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,15,16)
InChIKeyPRBNRUPFORJBFI-UHFFFAOYSA-N
XLogP3.40
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopentyl-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-chloro-6-cyclopentyl-2-methylpyridine-3-carboxylic acid (CID 175549709) is 4-chloro-6-cyclopentyl-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-chloro-6-cyclopentyl-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-chloro-6-cyclopentyl-2-methylpyridine-3-carboxylic acid is Cc1nc(C2CCCC2)cc(Cl)c1C(=O)O.
What is the InChIKey of 4-chloro-6-cyclopentyl-2-methylpyridine-3-carboxylic acid?
The InChIKey is PRBNRUPFORJBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-7-11(12(15)16)9(13)6-10(14-7)8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,15,16).
What are the key properties of 4-chloro-6-cyclopentyl-2-methylpyridine-3-carboxylic acid?
4-chloro-6-cyclopentyl-2-methylpyridine-3-carboxylic acid has a molecular weight of 239.70 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopentyl-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 175549709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).