ethyl 4-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate

C9H10F2N2O3 — CID 133093404

IUPACethyl 4-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(N)cc(=O)[nH]c1C(F)F
InChIInChI=1S/C9H10F2N2O3/c1-2-16-9(15)6-4(12)3-5(14)13-7(6)8(10)11/h3,8H,2H2,1H3,(H3,12,13,14)
InChIKeyKOCOKFCIRLHNJD-UHFFFAOYSA-N
MW232.19 g/mol
LogP1.07
Rot. Bonds3

About ethyl 4-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate

ethyl 4-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 133093404) has the molecular formula C9H10F2N2O3 and a molecular weight of 232.19 g/mol. Its IUPAC name is ethyl 4-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate
PubChem CID133093404
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Nameethyl 4-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(N)cc(=O)[nH]c1C(F)F
InChIInChI=1S/C9H10F2N2O3/c1-2-16-9(15)6-4(12)3-5(14)13-7(6)8(10)11/h3,8H,2H2,1H3,(H3,12,13,14)
InChIKeyKOCOKFCIRLHNJD-UHFFFAOYSA-N
XLogP1.07
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-amino-2-ethoxy-6-oxo-1H-pyridine-3-carboxylate
CID 13086384
4-amino-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one
CID 118817701
ethyl 2-cyano-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate
CID 134673857
methyl 2-(difluoromethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 130083978
ethyl 2-butan-2-yl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 123616005
ethyl 2-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 133093183
ethyl 4,6-diamino-2-(difluoromethyl)pyridine-3-carboxylate
CID 134684313
ethyl 4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxylate
CID 133106060
ethyl 2-[2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridin-4-yl]acetate
CID 133103526
ethyl 5-amino-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate
CID 133093393
ethyl 6-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-2-carboxylate
CID 133103099
ethyl 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-carboxylate
CID 133103721

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 4-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate (CID 133093404) is ethyl 4-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(N)cc(=O)[nH]c1C(F)F.
What is the InChIKey of ethyl 4-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is KOCOKFCIRLHNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c1-2-16-9(15)6-4(12)3-5(14)13-7(6)8(10)11/h3,8H,2H2,1H3,(H3,12,13,14).
What are the key properties of ethyl 4-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate?
ethyl 4-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 232.19 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 133093404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).