5-amino-6-(2-bromo-6-fluoroanilino)pyridine-3-carbonitrile

C12H8BrFN4 — CID 107596632

IUPAC5-amino-6-(2-bromo-6-fluoroanilino)pyridine-3-carbonitrile
SMILESN#Cc1cnc(Nc2c(F)cccc2Br)c(N)c1
InChIInChI=1S/C12H8BrFN4/c13-8-2-1-3-9(14)11(8)18-12-10(16)4-7(5-15)6-17-12/h1-4,6H,16H2,(H,17,18)
InChIKeyGXPPJDLNNDGOKS-UHFFFAOYSA-N
MW307.13 g/mol
LogP3.18
Rot. Bonds2

About 5-amino-6-(2-bromo-6-fluoroanilino)pyridine-3-carbonitrile

5-amino-6-(2-bromo-6-fluoroanilino)pyridine-3-carbonitrile (PubChem CID 107596632) has the molecular formula C12H8BrFN4 and a molecular weight of 307.13 g/mol. Its IUPAC name is 5-amino-6-(2-bromo-6-fluoroanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(2-bromo-6-fluoroanilino)pyridine-3-carbonitrile
PubChem CID107596632
Molecular FormulaC12H8BrFN4
Molecular Weight307.13 g/mol
Exact Mass305.99
IUPAC Name5-amino-6-(2-bromo-6-fluoroanilino)pyridine-3-carbonitrile
SMILESN#Cc1cnc(Nc2c(F)cccc2Br)c(N)c1
InChIInChI=1S/C12H8BrFN4/c13-8-2-1-3-9(14)11(8)18-12-10(16)4-7(5-15)6-17-12/h1-4,6H,16H2,(H,17,18)
InChIKeyGXPPJDLNNDGOKS-UHFFFAOYSA-N
XLogP3.18
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.13
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-6-(2-bromo-6-fluoroanilino)pyridine-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

Related Compounds

5-amino-6-(3-fluoro-2-methylanilino)pyridine-3-carbonitrile
CID 103468059
2-N-(2-bromo-6-fluorophenyl)pyridine-2,3-diamine
CID 107596616
4-(2-bromo-6-fluoroanilino)benzonitrile
CID 107600374
5-amino-6-(2-cyano-4-fluoroanilino)pyridine-3-carbonitrile
CID 103468902
5-amino-6-[3-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 103467380
4-[(3-amino-5-bromo-2-pyridinyl)amino]-3-bromobenzonitrile
CID 107787260
4-N-(2,6-difluorophenyl)pyrimidine-4,5-diamine
CID 79916614
2-(2-bromo-6-fluoroanilino)quinoline-3-carbonitrile
CID 107600392
3-amino-4-(2,6-difluoroanilino)benzonitrile
CID 43518142
2-amino-3-(2-bromo-6-fluoroanilino)benzonitrile
CID 107596630
5-amino-6-(5-chloro-2-cyanoanilino)pyridine-3-carbonitrile
CID 103468593
4-N-(2-bromo-6-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 107604672

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-bromo-6-fluoroanilino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-(2-bromo-6-fluoroanilino)pyridine-3-carbonitrile (CID 107596632) is 5-amino-6-(2-bromo-6-fluoroanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-(2-bromo-6-fluoroanilino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-(2-bromo-6-fluoroanilino)pyridine-3-carbonitrile is N#Cc1cnc(Nc2c(F)cccc2Br)c(N)c1.
What is the InChIKey of 5-amino-6-(2-bromo-6-fluoroanilino)pyridine-3-carbonitrile?
The InChIKey is GXPPJDLNNDGOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN4/c13-8-2-1-3-9(14)11(8)18-12-10(16)4-7(5-15)6-17-12/h1-4,6H,16H2,(H,17,18).
What are the key properties of 5-amino-6-(2-bromo-6-fluoroanilino)pyridine-3-carbonitrile?
5-amino-6-(2-bromo-6-fluoroanilino)pyridine-3-carbonitrile has a molecular weight of 307.13 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-bromo-6-fluoroanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 107596632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).