6-chloro-3-cyclopentylpyridine-2-carboxylic acid

C11H12ClNO2 — CID 84725732

IUPAC6-chloro-3-cyclopentylpyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Cl)ccc1C1CCCC1
InChIInChI=1S/C11H12ClNO2/c12-9-6-5-8(7-3-1-2-4-7)10(13-9)11(14)15/h5-7H,1-4H2,(H,14,15)
InChIKeyNXKMTLGHAKGYJN-UHFFFAOYSA-N
MW225.67 g/mol
LogP3.09
Rot. Bonds2

About 6-chloro-3-cyclopentylpyridine-2-carboxylic acid

6-chloro-3-cyclopentylpyridine-2-carboxylic acid (PubChem CID 84725732) has the molecular formula C11H12ClNO2 and a molecular weight of 225.67 g/mol. Its IUPAC name is 6-chloro-3-cyclopentylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-3-cyclopentylpyridine-2-carboxylic acid
PubChem CID84725732
Molecular FormulaC11H12ClNO2
Molecular Weight225.67 g/mol
Exact Mass225.06
IUPAC Name6-chloro-3-cyclopentylpyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Cl)ccc1C1CCCC1
InChIInChI=1S/C11H12ClNO2/c12-9-6-5-8(7-3-1-2-4-7)10(13-9)11(14)15/h5-7H,1-4H2,(H,14,15)
InChIKeyNXKMTLGHAKGYJN-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-cyclopentylpyridine-2-carboxylic acid?
The IUPAC name of 6-chloro-3-cyclopentylpyridine-2-carboxylic acid (CID 84725732) is 6-chloro-3-cyclopentylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-chloro-3-cyclopentylpyridine-2-carboxylic acid?
The canonical SMILES for 6-chloro-3-cyclopentylpyridine-2-carboxylic acid is O=C(O)c1nc(Cl)ccc1C1CCCC1.
What is the InChIKey of 6-chloro-3-cyclopentylpyridine-2-carboxylic acid?
The InChIKey is NXKMTLGHAKGYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c12-9-6-5-8(7-3-1-2-4-7)10(13-9)11(14)15/h5-7H,1-4H2,(H,14,15).
What are the key properties of 6-chloro-3-cyclopentylpyridine-2-carboxylic acid?
6-chloro-3-cyclopentylpyridine-2-carboxylic acid has a molecular weight of 225.67 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-cyclopentylpyridine-2-carboxylic acid is sourced from PubChem (CID 84725732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).