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

C8H6ClF2NO2 — CID 130095692

IUPAC2-[5-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)F)ncc1Cl
InChIInChI=1S/C8H6ClF2NO2/c9-5-3-12-6(8(10)11)1-4(5)2-7(13)14/h1,3,8H,2H2,(H,13,14)
InChIKeyJBMMQPYTZPKDCW-UHFFFAOYSA-N
MW221.59 g/mol
LogP2.30
Rot. Bonds3

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

2-[5-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid (PubChem CID 130095692) has the molecular formula C8H6ClF2NO2 and a molecular weight of 221.59 g/mol. Its IUPAC name is 2-[5-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
PubChem CID130095692
Molecular FormulaC8H6ClF2NO2
Molecular Weight221.59 g/mol
Exact Mass221.01
IUPAC Name2-[5-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)F)ncc1Cl
InChIInChI=1S/C8H6ClF2NO2/c9-5-3-12-6(8(10)11)1-4(5)2-7(13)14/h1,3,8H,2H2,(H,13,14)
InChIKeyJBMMQPYTZPKDCW-UHFFFAOYSA-N
XLogP2.30
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.59
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[5-chloro-2-(difluoromethyl)-4-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

methyl 2-[5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate
CID 133088543
2-[4-amino-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118834821
2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130095685
2-[5-chloro-2-(3,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 133088475
2-[4-(bromomethyl)-3-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130075453
2-[5-chloro-2-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130075781
2-[4-(chloromethyl)-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetic acid
CID 130090627
2-(5-chloro-4-fluoro-2-pyridinyl)acetic acid
CID 130775275
5-chloro-2-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130095758
ethyl 4-chloro-6-(difluoromethyl)pyridine-3-carboxylate
CID 133088345
2-[2-chloro-5-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
CID 118993349
2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130108367

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid?
The IUPAC name of 2-[5-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid (CID 130095692) is 2-[5-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid is O=C(O)Cc1cc(C(F)F)ncc1Cl.
What is the InChIKey of 2-[5-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid?
The InChIKey is JBMMQPYTZPKDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO2/c9-5-3-12-6(8(10)11)1-4(5)2-7(13)14/h1,3,8H,2H2,(H,13,14).
What are the key properties of 2-[5-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid?
2-[5-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid has a molecular weight of 221.59 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid is sourced from PubChem (CID 130095692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).