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

C8H8F2N2O3 — CID 133093442

IUPAC2-[3-amino-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetic acid
SMILESNc1c(CC(=O)O)[nH]cc(C(F)F)c1=O
InChIInChI=1S/C8H8F2N2O3/c9-8(10)3-2-12-4(1-5(13)14)6(11)7(3)15/h2,8H,1,11H2,(H,12,15)(H,13,14)
InChIKeyPLMGCGZPSPFCMK-UHFFFAOYSA-N
MW218.16 g/mol
LogP0.52
Rot. Bonds3

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

2-[3-amino-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetic acid (PubChem CID 133093442) has the molecular formula C8H8F2N2O3 and a molecular weight of 218.16 g/mol. Its IUPAC name is 2-[3-amino-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-amino-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetic acid
PubChem CID133093442
Molecular FormulaC8H8F2N2O3
Molecular Weight218.16 g/mol
Exact Mass218.05
IUPAC Name2-[3-amino-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetic acid
SMILESNc1c(CC(=O)O)[nH]cc(C(F)F)c1=O
InChIInChI=1S/C8H8F2N2O3/c9-8(10)3-2-12-4(1-5(13)14)6(11)7(3)15/h2,8H,1,11H2,(H,12,15)(H,13,14)
InChIKeyPLMGCGZPSPFCMK-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)-3-hydroxy-4-oxo-1H-pyridin-2-yl]acetic acid
CID 130100311
3-amino-2-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-4-one
CID 130104725
2-[3-amino-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid
CID 133093438
3-amino-5-(difluoromethyl)-2-fluoro-1H-pyridin-4-one
CID 130103833
2-[4-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetic acid
CID 118823198
3-bromo-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid
CID 130110437
2-(aminomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
CID 118853919
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 130104913
2-[5-(difluoromethyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]acetic acid
CID 130100302
2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetic acid
CID 130084045
5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 134667310
3-(chloromethyl)-5-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
CID 130085159

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetic acid?
The IUPAC name of 2-[3-amino-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetic acid (CID 133093442) is 2-[3-amino-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetic acid.
What is the SMILES notation for 2-[3-amino-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetic acid?
The canonical SMILES for 2-[3-amino-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetic acid is Nc1c(CC(=O)O)[nH]cc(C(F)F)c1=O.
What is the InChIKey of 2-[3-amino-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetic acid?
The InChIKey is PLMGCGZPSPFCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O3/c9-8(10)3-2-12-4(1-5(13)14)6(11)7(3)15/h2,8H,1,11H2,(H,12,15)(H,13,14).
What are the key properties of 2-[3-amino-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetic acid?
2-[3-amino-5-(difluoromethyl)-4-oxo-1H-pyridin-2-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-[3-amino-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetic acid is sourced from PubChem (CID 133093442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).