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

C8H7F2NO3 — CID 142458900

IUPAC2-[3-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cccc(C(F)F)c1=O
InChIInChI=1S/C8H7F2NO3/c9-7(10)5-2-1-3-11(8(5)14)4-6(12)13/h1-3,7H,4H2,(H,12,13)
InChIKeyYRXNKMLNHKPCDY-UHFFFAOYSA-N
MW203.14 g/mol
LogP0.87
Rot. Bonds3

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

2-[3-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid (PubChem CID 142458900) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid
PubChem CID142458900
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name2-[3-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cccc(C(F)F)c1=O
InChIInChI=1S/C8H7F2NO3/c9-7(10)5-2-1-3-11(8(5)14)4-6(12)13/h1-3,7H,4H2,(H,12,13)
InChIKeyYRXNKMLNHKPCDY-UHFFFAOYSA-N
XLogP0.87
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[3-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid (CID 142458900) is 2-[3-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid is O=C(O)Cn1cccc(C(F)F)c1=O.
What is the InChIKey of 2-[3-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is YRXNKMLNHKPCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c9-7(10)5-2-1-3-11(8(5)14)4-6(12)13/h1-3,7H,4H2,(H,12,13).
What are the key properties of 2-[3-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid?
2-[3-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 203.14 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 142458900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).