6-amino-5-bromo-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile

C13H9BrFN3O — CID 2109211

IUPAC6-amino-5-bromo-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile
SMILESCn1c(N)c(Br)c(-c2ccc(F)cc2)c(C#N)c1=O
InChIInChI=1S/C13H9BrFN3O/c1-18-12(17)11(14)10(9(6-16)13(18)19)7-2-4-8(15)5-3-7/h2-5H,17H2,1H3
InChIKeyADQPDQYZTDSRTN-UHFFFAOYSA-N
MW322.14 g/mol
LogP2.41
Rot. Bonds1

About 6-amino-5-bromo-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile

6-amino-5-bromo-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 2109211) has the molecular formula C13H9BrFN3O and a molecular weight of 322.14 g/mol. Its IUPAC name is 6-amino-5-bromo-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-5-bromo-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile
PubChem CID2109211
Molecular FormulaC13H9BrFN3O
Molecular Weight322.14 g/mol
Exact Mass320.99
IUPAC Name6-amino-5-bromo-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile
SMILESCn1c(N)c(Br)c(-c2ccc(F)cc2)c(C#N)c1=O
InChIInChI=1S/C13H9BrFN3O/c1-18-12(17)11(14)10(9(6-16)13(18)19)7-2-4-8(15)5-3-7/h2-5H,17H2,1H3
InChIKeyADQPDQYZTDSRTN-UHFFFAOYSA-N
XLogP2.41
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.14
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-amino-5-bromo-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-bromo-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-amino-5-bromo-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile (CID 2109211) is 6-amino-5-bromo-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-5-bromo-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-amino-5-bromo-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile is Cn1c(N)c(Br)c(-c2ccc(F)cc2)c(C#N)c1=O.
What is the InChIKey of 6-amino-5-bromo-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is ADQPDQYZTDSRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3O/c1-18-12(17)11(14)10(9(6-16)13(18)19)7-2-4-8(15)5-3-7/h2-5H,17H2,1H3.
What are the key properties of 6-amino-5-bromo-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
6-amino-5-bromo-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 322.14 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-bromo-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 2109211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).