2,2-difluoro-2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetic acid

C8H7F2NO3 — CID 118649399

IUPAC2,2-difluoro-2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetic acid
SMILESCc1cc(C(F)(F)C(=O)O)c[nH]c1=O
InChIInChI=1S/C8H7F2NO3/c1-4-2-5(3-11-6(4)12)8(9,10)7(13)14/h2-3H,1H3,(H,11,12)(H,13,14)
InChIKeyRBMCHBAIJSXDLV-UHFFFAOYSA-N
MW203.14 g/mol
LogP0.86
Rot. Bonds2

About 2,2-difluoro-2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetic acid

2,2-difluoro-2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetic acid (PubChem CID 118649399) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is 2,2-difluoro-2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetic acid
PubChem CID118649399
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name2,2-difluoro-2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetic acid
SMILESCc1cc(C(F)(F)C(=O)O)c[nH]c1=O
InChIInChI=1S/C8H7F2NO3/c1-4-2-5(3-11-6(4)12)8(9,10)7(13)14/h2-3H,1H3,(H,11,12)(H,13,14)
InChIKeyRBMCHBAIJSXDLV-UHFFFAOYSA-N
XLogP0.86
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetic acid?
The IUPAC name of 2,2-difluoro-2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetic acid (CID 118649399) is 2,2-difluoro-2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetic acid.
What is the SMILES notation for 2,2-difluoro-2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetic acid?
The canonical SMILES for 2,2-difluoro-2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetic acid is Cc1cc(C(F)(F)C(=O)O)c[nH]c1=O.
What is the InChIKey of 2,2-difluoro-2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetic acid?
The InChIKey is RBMCHBAIJSXDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c1-4-2-5(3-11-6(4)12)8(9,10)7(13)14/h2-3H,1H3,(H,11,12)(H,13,14).
What are the key properties of 2,2-difluoro-2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetic acid?
2,2-difluoro-2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetic acid has a molecular weight of 203.14 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetic acid is sourced from PubChem (CID 118649399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).