2-[5-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid

C9H8ClF2NO2 — CID 130074453

IUPAC2-[5-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid
SMILESCc1ncc(CC(=O)O)c(C(F)F)c1Cl
InChIInChI=1S/C9H8ClF2NO2/c1-4-8(10)7(9(11)12)5(3-13-4)2-6(14)15/h3,9H,2H2,1H3,(H,14,15)
InChIKeyHXMSQYNNTBFFBA-UHFFFAOYSA-N
MW235.62 g/mol
LogP2.61
Rot. Bonds3

About 2-[5-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid

2-[5-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid (PubChem CID 130074453) has the molecular formula C9H8ClF2NO2 and a molecular weight of 235.62 g/mol. Its IUPAC name is 2-[5-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid
PubChem CID130074453
Molecular FormulaC9H8ClF2NO2
Molecular Weight235.62 g/mol
Exact Mass235.02
IUPAC Name2-[5-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid
SMILESCc1ncc(CC(=O)O)c(C(F)F)c1Cl
InChIInChI=1S/C9H8ClF2NO2/c1-4-8(10)7(9(11)12)5(3-13-4)2-6(14)15/h3,9H,2H2,1H3,(H,14,15)
InChIKeyHXMSQYNNTBFFBA-UHFFFAOYSA-N
XLogP2.61
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.62
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[5-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic 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

2-[5-bromo-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid
CID 130069504
2-[5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134684141
2-[5-(chloromethyl)-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid
CID 130090617
2-[3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130075764
2-[4-(difluoromethyl)-5,6-dimethoxy-3-pyridinyl]acetic acid
CID 134684702
3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carboxylic acid
CID 130075661
2-[3-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
CID 130074461
2-[4-(difluoromethyl)-6-fluoro-5-iodo-3-pyridinyl]acetic acid
CID 130080364
5-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid
CID 130074385
2-[6-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid
CID 118997990
methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134663537
3-chloro-4-(difluoromethyl)-2-methyl-5-(trifluoromethyl)pyridine
CID 134674506

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid?
The IUPAC name of 2-[5-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid (CID 130074453) is 2-[5-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid is Cc1ncc(CC(=O)O)c(C(F)F)c1Cl.
What is the InChIKey of 2-[5-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid?
The InChIKey is HXMSQYNNTBFFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2NO2/c1-4-8(10)7(9(11)12)5(3-13-4)2-6(14)15/h3,9H,2H2,1H3,(H,14,15).
What are the key properties of 2-[5-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid?
2-[5-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid has a molecular weight of 235.62 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid is sourced from PubChem (CID 130074453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).