2-[3-chloro-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid

C8H6ClF2NO3 — CID 135364076

IUPAC2-[3-chloro-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(C(F)F)cc(Cl)c1=O
InChIInChI=1S/C8H6ClF2NO3/c9-5-1-4(7(10)11)2-12(8(5)15)3-6(13)14/h1-2,7H,3H2,(H,13,14)
InChIKeyNDIUOWKTTRMYKM-UHFFFAOYSA-N
MW237.59 g/mol
LogP1.52
Rot. Bonds3

About 2-[3-chloro-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid

2-[3-chloro-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid (PubChem CID 135364076) has the molecular formula C8H6ClF2NO3 and a molecular weight of 237.59 g/mol. Its IUPAC name is 2-[3-chloro-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-chloro-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid
PubChem CID135364076
Molecular FormulaC8H6ClF2NO3
Molecular Weight237.59 g/mol
Exact Mass237.00
IUPAC Name2-[3-chloro-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(C(F)F)cc(Cl)c1=O
InChIInChI=1S/C8H6ClF2NO3/c9-5-1-4(7(10)11)2-12(8(5)15)3-6(13)14/h1-2,7H,3H2,(H,13,14)
InChIKeyNDIUOWKTTRMYKM-UHFFFAOYSA-N
XLogP1.52
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.59
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-chloro-5-(difluoromethyl)-2-oxo-1-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-(2-Oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl)acetic acid
CID 702585
[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1(2H)-yl]acetic acid
CID 2463145
2-[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 3611941
5-Chloro-6-oxo-1-(2,2,2-trifluoroethyl)-1,6-dihydropyridine-3-carboxylic acid
CID 118111515
2-[5-(Difluoromethyl)-2-oxo-1,2-dihydropyridin-1-yl]acetic acid
CID 122240432
2-[2-Oxo-4-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 132372717
2-[5-Methyl-2-oxo-3-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 135363600
2-[3-Bromo-5-(difluoromethyl)-2-oxopyridin-1-yl]acetic acid
CID 135363731
2-[2-Oxo-3,5-bis(trifluoromethyl)pyridin-1-yl]acetic acid
CID 142458865
2-[5-Chloro-3-(difluoromethyl)-2-oxopyridin-1-yl]acetic acid
CID 142458866
2-[3-Chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 2463144
Methyl 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetate
CID 17433593

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[3-chloro-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid (CID 135364076) is 2-[3-chloro-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-chloro-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-chloro-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid is O=C(O)Cn1cc(C(F)F)cc(Cl)c1=O.
What is the InChIKey of 2-[3-chloro-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is NDIUOWKTTRMYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO3/c9-5-1-4(7(10)11)2-12(8(5)15)3-6(13)14/h1-2,7H,3H2,(H,13,14).
What are the key properties of 2-[3-chloro-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid?
2-[3-chloro-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 237.59 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 135364076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).