2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid

C8H6ClF2NO3 — CID 130072773

IUPAC2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid
SMILESO=C(O)Cc1[nH]c(=O)cc(C(F)F)c1Cl
InChIInChI=1S/C8H6ClF2NO3/c9-7-3(8(10)11)1-5(13)12-4(7)2-6(14)15/h1,8H,2H2,(H,12,13)(H,14,15)
InChIKeyJBWJEFRMWCINCC-UHFFFAOYSA-N
MW237.59 g/mol
LogP1.59
Rot. Bonds3

About 2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid

2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid (PubChem CID 130072773) has the molecular formula C8H6ClF2NO3 and a molecular weight of 237.59 g/mol. Its IUPAC name is 2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid
PubChem CID130072773
Molecular FormulaC8H6ClF2NO3
Molecular Weight237.59 g/mol
Exact Mass237.00
IUPAC Name2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid
SMILESO=C(O)Cc1[nH]c(=O)cc(C(F)F)c1Cl
InChIInChI=1S/C8H6ClF2NO3/c9-7-3(8(10)11)1-5(13)12-4(7)2-6(14)15/h1,8H,2H2,(H,12,13)(H,14,15)
InChIKeyJBWJEFRMWCINCC-UHFFFAOYSA-N
XLogP1.59
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.59
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-amino-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid
CID 133093438
2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 130072565
3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride
CID 130072823
2-(chloromethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 118825861
2-[4-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetic acid
CID 118823198
5-chloro-4-(difluoromethyl)-6-methyl-1H-pyridin-2-one
CID 130072325
2-[6-(chloromethyl)-5-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetic acid
CID 118821536
6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 118849612
5-bromo-6-(chloromethyl)-4-(difluoromethyl)-1H-pyridin-2-one
CID 130110248
2-[5-chloro-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetic acid
CID 130073451
2-[5-chloro-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetic acid
CID 130074460
2-[3-(difluoromethyl)-2-nitro-6-oxo-1H-pyridin-4-yl]acetic acid
CID 133103082

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid?
The IUPAC name of 2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid (CID 130072773) is 2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid.
What is the SMILES notation for 2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid?
The canonical SMILES for 2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid is O=C(O)Cc1[nH]c(=O)cc(C(F)F)c1Cl.
What is the InChIKey of 2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid?
The InChIKey is JBWJEFRMWCINCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO3/c9-7-3(8(10)11)1-5(13)12-4(7)2-6(14)15/h1,8H,2H2,(H,12,13)(H,14,15).
What are the key properties of 2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid?
2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid has a molecular weight of 237.59 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid is sourced from PubChem (CID 130072773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).