ethyl 5-amino-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate

C9H10F2N2O3 — CID 133093393

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

About ethyl 5-amino-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate

ethyl 5-amino-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 133093393) has the molecular formula C9H10F2N2O3 and a molecular weight of 232.19 g/mol. Its IUPAC name is ethyl 5-amino-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate
PubChem CID133093393
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Nameethyl 5-amino-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)F)c(N)c[nH]c1=O
InChIInChI=1S/C9H10F2N2O3/c1-2-16-9(15)6-5(7(10)11)4(12)3-13-8(6)14/h3,7H,2,12H2,1H3,(H,13,14)
InChIKeyRVCPYAFSWZXEID-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 5-(difluoromethyl)-3-iodo-2-oxo-1H-pyridine-4-carboxylate
CID 133103615
ethyl 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate
CID 133103174
ethyl 5-(difluoromethyl)-4-nitro-2-oxo-1H-pyridine-3-carboxylate
CID 133102808
ethyl 5-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 133103325
ethyl 4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxylate
CID 133106060
ethyl 2-[5-amino-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
CID 133093553
2-[5-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetic acid
CID 133093439
ethyl 6-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 134667746
ethyl 2-[5-(difluoromethyl)-4-methyl-6-oxo-1H-pyridin-3-yl]acetate
CID 133103019
ethyl 4-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate
CID 133093404
ethyl 5-(4-fluorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carboxylate
CID 90717630
ethyl 5-(aminomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylate
CID 133102494

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-amino-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate (CID 133093393) is ethyl 5-amino-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-amino-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(C(F)F)c(N)c[nH]c1=O.
What is the InChIKey of ethyl 5-amino-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is RVCPYAFSWZXEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c1-2-16-9(15)6-5(7(10)11)4(12)3-13-8(6)14/h3,7H,2,12H2,1H3,(H,13,14).
What are the key properties of ethyl 5-amino-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate?
ethyl 5-amino-4-(difluoromethyl)-2-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 5-amino-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 133093393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).