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

C13H11BrN4O — CID 103468643

IUPAC3-amino-6-(2-bromo-5-methoxyanilino)pyridine-2-carbonitrile
SMILESCOc1ccc(Br)c(Nc2ccc(N)c(C#N)n2)c1
InChIInChI=1S/C13H11BrN4O/c1-19-8-2-3-9(14)11(6-8)17-13-5-4-10(16)12(7-15)18-13/h2-6H,16H2,1H3,(H,17,18)
InChIKeyHWMWHBFVNBAYKS-UHFFFAOYSA-N
MW319.16 g/mol
LogP3.05
Rot. Bonds3

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

3-amino-6-(2-bromo-5-methoxyanilino)pyridine-2-carbonitrile (PubChem CID 103468643) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is 3-amino-6-(2-bromo-5-methoxyanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(2-bromo-5-methoxyanilino)pyridine-2-carbonitrile
PubChem CID103468643
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC Name3-amino-6-(2-bromo-5-methoxyanilino)pyridine-2-carbonitrile
SMILESCOc1ccc(Br)c(Nc2ccc(N)c(C#N)n2)c1
InChIInChI=1S/C13H11BrN4O/c1-19-8-2-3-9(14)11(6-8)17-13-5-4-10(16)12(7-15)18-13/h2-6H,16H2,1H3,(H,17,18)
InChIKeyHWMWHBFVNBAYKS-UHFFFAOYSA-N
XLogP3.05
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-6-(2-bromo-5-methoxyanilino)pyridine-2-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

3-amino-6-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile
CID 103469069
3-amino-6-(2-methylanilino)pyridine-2-carbonitrile
CID 103467468
3-bromo-2-N-(2-bromo-5-methoxyphenyl)pyridine-2,5-diamine
CID 79534385
4-N-(2-bromo-5-methoxyphenyl)pyrimidine-4,5-diamine
CID 79918834
3-amino-6-(naphthalen-2-ylamino)pyridine-2-carbonitrile
CID 10658994
4-(2-bromo-5-methoxyanilino)-2-methylbenzonitrile
CID 81282666
3-amino-6-(3,4,5-trifluoroanilino)pyridine-2-carbonitrile
CID 103468291
4-N-(2-bromo-5-methoxyphenyl)-5-chloropyrimidine-2,4-diamine
CID 80846775
2-N-(2,4-dibromo-5-methoxyphenyl)-6-methylpyridine-2,5-diamine
CID 103410626
1-N-(2-bromo-5-methoxyphenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590503
4-N-(2-bromo-5-methoxyphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80944386
2-N-(2-bromo-5-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80830555

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-bromo-5-methoxyanilino)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-(2-bromo-5-methoxyanilino)pyridine-2-carbonitrile (CID 103468643) is 3-amino-6-(2-bromo-5-methoxyanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(2-bromo-5-methoxyanilino)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(2-bromo-5-methoxyanilino)pyridine-2-carbonitrile is COc1ccc(Br)c(Nc2ccc(N)c(C#N)n2)c1.
What is the InChIKey of 3-amino-6-(2-bromo-5-methoxyanilino)pyridine-2-carbonitrile?
The InChIKey is HWMWHBFVNBAYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O/c1-19-8-2-3-9(14)11(6-8)17-13-5-4-10(16)12(7-15)18-13/h2-6H,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-6-(2-bromo-5-methoxyanilino)pyridine-2-carbonitrile?
3-amino-6-(2-bromo-5-methoxyanilino)pyridine-2-carbonitrile has a molecular weight of 319.16 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-bromo-5-methoxyanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 103468643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).