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

C8H6ClF2NO3 — CID 142458866

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

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

2-[5-chloro-3-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid (PubChem CID 142458866) has the molecular formula C8H6ClF2NO3 and a molecular weight of 237.59 g/mol. Its IUPAC name is 2-[5-chloro-3-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-3-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid
PubChem CID142458866
Molecular FormulaC8H6ClF2NO3
Molecular Weight237.59 g/mol
Exact Mass237.00
IUPAC Name2-[5-chloro-3-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(Cl)cc(C(F)F)c1=O
InChIInChI=1S/C8H6ClF2NO3/c9-4-1-5(7(10)11)8(15)12(2-4)3-6(13)14/h1-2,7H,3H2,(H,13,14)
InChIKeyKMLVZVAIYQIUEM-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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-3-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[5-chloro-3-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid (CID 142458866) is 2-[5-chloro-3-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-chloro-3-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-chloro-3-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid is O=C(O)Cn1cc(Cl)cc(C(F)F)c1=O.
What is the InChIKey of 2-[5-chloro-3-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is KMLVZVAIYQIUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO3/c9-4-1-5(7(10)11)8(15)12(2-4)3-6(13)14/h1-2,7H,3H2,(H,13,14).
What are the key properties of 2-[5-chloro-3-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid?
2-[5-chloro-3-(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-[5-chloro-3-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 142458866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).