2-(6-chloro-3-methyl-2-pyridinyl)butanoic acid

C10H12ClNO2 — CID 87238218

IUPAC2-(6-chloro-3-methyl-2-pyridinyl)butanoic acid
SMILESCCC(C(=O)O)c1nc(Cl)ccc1C
InChIInChI=1S/C10H12ClNO2/c1-3-7(10(13)14)9-6(2)4-5-8(11)12-9/h4-5,7H,3H2,1-2H3,(H,13,14)
InChIKeyYWQRCBVISLTIRA-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.62
Rot. Bonds3

About 2-(6-chloro-3-methyl-2-pyridinyl)butanoic acid

2-(6-chloro-3-methyl-2-pyridinyl)butanoic acid (PubChem CID 87238218) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-(6-chloro-3-methyl-2-pyridinyl)butanoic acid.

Molecular Properties

Compound Name2-(6-chloro-3-methyl-2-pyridinyl)butanoic acid
PubChem CID87238218
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-(6-chloro-3-methyl-2-pyridinyl)butanoic acid
SMILESCCC(C(=O)O)c1nc(Cl)ccc1C
InChIInChI=1S/C10H12ClNO2/c1-3-7(10(13)14)9-6(2)4-5-8(11)12-9/h4-5,7H,3H2,1-2H3,(H,13,14)
InChIKeyYWQRCBVISLTIRA-UHFFFAOYSA-N
XLogP2.62
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(6-chloro-3-methyl-2-pyridinyl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-methyl-2-pyridinyl)butanoic acid?
The IUPAC name of 2-(6-chloro-3-methyl-2-pyridinyl)butanoic acid (CID 87238218) is 2-(6-chloro-3-methyl-2-pyridinyl)butanoic acid.
What is the SMILES notation for 2-(6-chloro-3-methyl-2-pyridinyl)butanoic acid?
The canonical SMILES for 2-(6-chloro-3-methyl-2-pyridinyl)butanoic acid is CCC(C(=O)O)c1nc(Cl)ccc1C.
What is the InChIKey of 2-(6-chloro-3-methyl-2-pyridinyl)butanoic acid?
The InChIKey is YWQRCBVISLTIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-3-7(10(13)14)9-6(2)4-5-8(11)12-9/h4-5,7H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-(6-chloro-3-methyl-2-pyridinyl)butanoic acid?
2-(6-chloro-3-methyl-2-pyridinyl)butanoic acid has a molecular weight of 213.66 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-methyl-2-pyridinyl)butanoic acid is sourced from PubChem (CID 87238218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).