methyl 2-(4-bromo-2-fluoroanilino)-4-methyl-6-oxo-1H-pyridine-3-carboxylate

C14H12BrFN2O3 — CID 69286424

IUPACmethyl 2-(4-bromo-2-fluoroanilino)-4-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c(C)cc(=O)[nH]c1Nc1ccc(Br)cc1F
InChIInChI=1S/C14H12BrFN2O3/c1-7-5-11(19)18-13(12(7)14(20)21-2)17-10-4-3-8(15)6-9(10)16/h3-6H,1-2H3,(H2,17,18,19)
InChIKeyUREVFOFLECWQIE-UHFFFAOYSA-N
MW355.16 g/mol
LogP3.12
Rot. Bonds3

About methyl 2-(4-bromo-2-fluoroanilino)-4-methyl-6-oxo-1H-pyridine-3-carboxylate

methyl 2-(4-bromo-2-fluoroanilino)-4-methyl-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 69286424) has the molecular formula C14H12BrFN2O3 and a molecular weight of 355.16 g/mol. Its IUPAC name is methyl 2-(4-bromo-2-fluoroanilino)-4-methyl-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-bromo-2-fluoroanilino)-4-methyl-6-oxo-1H-pyridine-3-carboxylate
PubChem CID69286424
Molecular FormulaC14H12BrFN2O3
Molecular Weight355.16 g/mol
Exact Mass354.00
IUPAC Namemethyl 2-(4-bromo-2-fluoroanilino)-4-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c(C)cc(=O)[nH]c1Nc1ccc(Br)cc1F
InChIInChI=1S/C14H12BrFN2O3/c1-7-5-11(19)18-13(12(7)14(20)21-2)17-10-4-3-8(15)6-9(10)16/h3-6H,1-2H3,(H2,17,18,19)
InChIKeyUREVFOFLECWQIE-UHFFFAOYSA-N
XLogP3.12
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.16
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromo-2-fluoroanilino)-4-methyl-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 2-(4-bromo-2-fluoroanilino)-4-methyl-6-oxo-1H-pyridine-3-carboxylate (CID 69286424) is methyl 2-(4-bromo-2-fluoroanilino)-4-methyl-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(4-bromo-2-fluoroanilino)-4-methyl-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(4-bromo-2-fluoroanilino)-4-methyl-6-oxo-1H-pyridine-3-carboxylate is COC(=O)c1c(C)cc(=O)[nH]c1Nc1ccc(Br)cc1F.
What is the InChIKey of methyl 2-(4-bromo-2-fluoroanilino)-4-methyl-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is UREVFOFLECWQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O3/c1-7-5-11(19)18-13(12(7)14(20)21-2)17-10-4-3-8(15)6-9(10)16/h3-6H,1-2H3,(H2,17,18,19).
What are the key properties of methyl 2-(4-bromo-2-fluoroanilino)-4-methyl-6-oxo-1H-pyridine-3-carboxylate?
methyl 2-(4-bromo-2-fluoroanilino)-4-methyl-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 355.16 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromo-2-fluoroanilino)-4-methyl-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 69286424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).