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

C8H8F2N2O3 — CID 133093439

IUPAC2-[5-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetic acid
SMILESNc1c[nH]c(=O)c(CC(=O)O)c1C(F)F
InChIInChI=1S/C8H8F2N2O3/c9-7(10)6-3(1-5(13)14)8(15)12-2-4(6)11/h2,7H,1,11H2,(H,12,15)(H,13,14)
InChIKeyZYTVDRVFONRTQU-UHFFFAOYSA-N
MW218.16 g/mol
LogP0.52
Rot. Bonds3

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

2-[5-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetic acid (PubChem CID 133093439) has the molecular formula C8H8F2N2O3 and a molecular weight of 218.16 g/mol. Its IUPAC name is 2-[5-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetic acid
PubChem CID133093439
Molecular FormulaC8H8F2N2O3
Molecular Weight218.16 g/mol
Exact Mass218.05
IUPAC Name2-[5-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetic acid
SMILESNc1c[nH]c(=O)c(CC(=O)O)c1C(F)F
InChIInChI=1S/C8H8F2N2O3/c9-7(10)6-3(1-5(13)14)8(15)12-2-4(6)11/h2,7H,1,11H2,(H,12,15)(H,13,14)
InChIKeyZYTVDRVFONRTQU-UHFFFAOYSA-N
XLogP0.52
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(difluoromethyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]acetic acid
CID 130100302
3-(aminomethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 130084595
2-[5-(difluoromethyl)-4-fluoro-6-oxo-1H-pyridin-3-yl]acetic acid
CID 130079710
2-[4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid
CID 118841203
methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate
CID 133102943
3-(aminomethyl)-4-(difluoromethyl)-5-iodo-1H-pyridin-2-one
CID 130082587
2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetic acid
CID 130084045
ethyl 5-amino-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate
CID 133093393
methyl 2-[5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 134673994
2-[5-amino-3-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 134684591
5-amino-4-(difluoromethyl)-3-nitro-1H-pyridin-2-one
CID 130104623
5-chloro-4-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-2-one
CID 130072604

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetic acid?
The IUPAC name of 2-[5-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetic acid (CID 133093439) is 2-[5-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[5-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[5-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetic acid is Nc1c[nH]c(=O)c(CC(=O)O)c1C(F)F.
What is the InChIKey of 2-[5-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetic acid?
The InChIKey is ZYTVDRVFONRTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O3/c9-7(10)6-3(1-5(13)14)8(15)12-2-4(6)11/h2,7H,1,11H2,(H,12,15)(H,13,14).
What are the key properties of 2-[5-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetic acid?
2-[5-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetic acid has a molecular weight of 218.16 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetic acid is sourced from PubChem (CID 133093439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).