propyl 5-fluoro-2-(methylamino)-6-oxo-1H-pyridine-3-carboxylate

C10H13FN2O3 — CID 54031994

IUPACpropyl 5-fluoro-2-(methylamino)-6-oxo-1H-pyridine-3-carboxylate
SMILESCCCOC(=O)c1cc(F)c(=O)[nH]c1NC
InChIInChI=1S/C10H13FN2O3/c1-3-4-16-10(15)6-5-7(11)9(14)13-8(6)12-2/h5H,3-4H2,1-2H3,(H2,12,13,14)
InChIKeyLGGJOKLXHYVBHS-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.12
Rot. Bonds4

About propyl 5-fluoro-2-(methylamino)-6-oxo-1H-pyridine-3-carboxylate

propyl 5-fluoro-2-(methylamino)-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 54031994) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is propyl 5-fluoro-2-(methylamino)-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namepropyl 5-fluoro-2-(methylamino)-6-oxo-1H-pyridine-3-carboxylate
PubChem CID54031994
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Namepropyl 5-fluoro-2-(methylamino)-6-oxo-1H-pyridine-3-carboxylate
SMILESCCCOC(=O)c1cc(F)c(=O)[nH]c1NC
InChIInChI=1S/C10H13FN2O3/c1-3-4-16-10(15)6-5-7(11)9(14)13-8(6)12-2/h5H,3-4H2,1-2H3,(H2,12,13,14)
InChIKeyLGGJOKLXHYVBHS-UHFFFAOYSA-N
XLogP1.12
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 2-(methylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 54305610
propyl 2,3,4,5-tetrafluorobenzoate
CID 78968858
ethyl 5-fluoro-2-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 135741598
dipropyl 1,3-dioxoisoindole-5,6-dicarboxylate
CID 142764912
propyl 3,4,5-trifluorobenzoate
CID 63186256
propyl 2,5-difluorobenzoate
CID 43416946
propyl 3-oxo-1,2-thiazole-4-carboxylate
CID 123888774
propyl 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 78929466
propyl 5-amino-2-(methylamino)benzoate
CID 100637694
propyl 2,4-dichloro-3-chlorosulfonyl-5-fluorobenzoate
CID 65396721
tetrapropyl naphthalene-1,4,5,8-tetracarboxylate
CID 21270260
ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490237

Frequently Asked Questions

What is the IUPAC name of propyl 5-fluoro-2-(methylamino)-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of propyl 5-fluoro-2-(methylamino)-6-oxo-1H-pyridine-3-carboxylate (CID 54031994) is propyl 5-fluoro-2-(methylamino)-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for propyl 5-fluoro-2-(methylamino)-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for propyl 5-fluoro-2-(methylamino)-6-oxo-1H-pyridine-3-carboxylate is CCCOC(=O)c1cc(F)c(=O)[nH]c1NC.
What is the InChIKey of propyl 5-fluoro-2-(methylamino)-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is LGGJOKLXHYVBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c1-3-4-16-10(15)6-5-7(11)9(14)13-8(6)12-2/h5H,3-4H2,1-2H3,(H2,12,13,14).
What are the key properties of propyl 5-fluoro-2-(methylamino)-6-oxo-1H-pyridine-3-carboxylate?
propyl 5-fluoro-2-(methylamino)-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 228.22 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-fluoro-2-(methylamino)-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 54031994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).