2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetic acid

C9H9F2NO3 — CID 130084045

IUPAC2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetic acid
SMILESCc1c(CC(=O)O)c(C(F)F)c[nH]c1=O
InChIInChI=1S/C9H9F2NO3/c1-4-5(2-7(13)14)6(8(10)11)3-12-9(4)15/h3,8H,2H2,1H3,(H,12,15)(H,13,14)
InChIKeyGFPXWJOCTCIIIS-UHFFFAOYSA-N
MW217.17 g/mol
LogP1.25
Rot. Bonds3

About 2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetic acid

2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetic acid (PubChem CID 130084045) has the molecular formula C9H9F2NO3 and a molecular weight of 217.17 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetic acid
PubChem CID130084045
Molecular FormulaC9H9F2NO3
Molecular Weight217.17 g/mol
Exact Mass217.06
IUPAC Name2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetic acid
SMILESCc1c(CC(=O)O)c(C(F)F)c[nH]c1=O
InChIInChI=1S/C9H9F2NO3/c1-4-5(2-7(13)14)6(8(10)11)3-12-9(4)15/h3,8H,2H2,1H3,(H,12,15)(H,13,14)
InChIKeyGFPXWJOCTCIIIS-UHFFFAOYSA-N
XLogP1.25
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetate
CID 133103382
2-[5-(difluoromethyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]acetic acid
CID 130100302
2-[5-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetic acid
CID 133093439
methyl 2-[5-(difluoromethyl)-3-iodo-2-oxo-1H-pyridin-4-yl]acetate
CID 133103603
5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyridin-2-one
CID 130079323
2-[4-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetic acid
CID 118823198
2-[4-(difluoromethyl)-6-iodo-2-oxo-1H-pyridin-3-yl]acetic acid
CID 118807000
2-[4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridin-3-yl]acetic acid
CID 118806945
2-[5-(difluoromethyl)-3-hydroxy-4-oxo-1H-pyridin-2-yl]acetic acid
CID 130100311
3-amino-5-(difluoromethyl)-4-methyl-1H-pyridin-2-one
CID 130104590
methyl 3-(aminomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 133103037
2-[4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid
CID 118841203

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetic acid?
The IUPAC name of 2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetic acid (CID 130084045) is 2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetic acid.
What is the SMILES notation for 2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetic acid?
The canonical SMILES for 2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetic acid is Cc1c(CC(=O)O)c(C(F)F)c[nH]c1=O.
What is the InChIKey of 2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetic acid?
The InChIKey is GFPXWJOCTCIIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO3/c1-4-5(2-7(13)14)6(8(10)11)3-12-9(4)15/h3,8H,2H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetic acid?
2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetic acid has a molecular weight of 217.17 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetic acid is sourced from PubChem (CID 130084045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).