3-amino-2-(5-bromo-2-methoxyanilino)pyridine-4-carbonitrile

C13H11BrN4O — CID 82817698

IUPAC3-amino-2-(5-bromo-2-methoxyanilino)pyridine-4-carbonitrile
SMILESCOc1ccc(Br)cc1Nc1nccc(C#N)c1N
InChIInChI=1S/C13H11BrN4O/c1-19-11-3-2-9(14)6-10(11)18-13-12(16)8(7-15)4-5-17-13/h2-6H,16H2,1H3,(H,17,18)
InChIKeyYPOJDHHLOIMHMM-UHFFFAOYSA-N
MW319.16 g/mol
LogP3.05
Rot. Bonds3

About 3-amino-2-(5-bromo-2-methoxyanilino)pyridine-4-carbonitrile

3-amino-2-(5-bromo-2-methoxyanilino)pyridine-4-carbonitrile (PubChem CID 82817698) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is 3-amino-2-(5-bromo-2-methoxyanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(5-bromo-2-methoxyanilino)pyridine-4-carbonitrile
PubChem CID82817698
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC Name3-amino-2-(5-bromo-2-methoxyanilino)pyridine-4-carbonitrile
SMILESCOc1ccc(Br)cc1Nc1nccc(C#N)c1N
InChIInChI=1S/C13H11BrN4O/c1-19-11-3-2-9(14)6-10(11)18-13-12(16)8(7-15)4-5-17-13/h2-6H,16H2,1H3,(H,17,18)
InChIKeyYPOJDHHLOIMHMM-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

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Related Compounds

3-amino-2-(2,5-dimethoxyanilino)pyridine-4-carbonitrile
CID 82817759
4-(5-bromo-2-methoxyanilino)-2-methylbenzonitrile
CID 81281831
3-amino-2-(3,4-dimethylanilino)pyridine-4-carbonitrile
CID 82817679
2-(2,5-dimethoxyanilino)pyridine-3-carbonitrile
CID 24691895
3-amino-2-(5-fluoro-2-methylanilino)pyridine-4-carbonitrile
CID 82816959
5-[(5-bromo-2-methoxyanilino)methyl]-2-methoxybenzonitrile
CID 65341007
3-amino-2-(4-bromo-3-fluoroanilino)pyridine-4-carbonitrile
CID 82813369
3-amino-2-(2-ethylanilino)pyridine-4-carbonitrile
CID 82817206
5-bromo-2-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]benzonitrile
CID 82713129
6-N-(5-bromo-2-methoxyphenyl)-7H-purine-2,6-diamine
CID 114784409
N-(5-bromo-2-methoxyphenyl)-2-chloropyridin-4-amine
CID 102824089
3-amino-2-(2,3,4-trifluoroanilino)pyridine-4-carbonitrile
CID 82817204

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-bromo-2-methoxyanilino)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(5-bromo-2-methoxyanilino)pyridine-4-carbonitrile (CID 82817698) is 3-amino-2-(5-bromo-2-methoxyanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(5-bromo-2-methoxyanilino)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(5-bromo-2-methoxyanilino)pyridine-4-carbonitrile is COc1ccc(Br)cc1Nc1nccc(C#N)c1N.
What is the InChIKey of 3-amino-2-(5-bromo-2-methoxyanilino)pyridine-4-carbonitrile?
The InChIKey is YPOJDHHLOIMHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O/c1-19-11-3-2-9(14)6-10(11)18-13-12(16)8(7-15)4-5-17-13/h2-6H,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-2-(5-bromo-2-methoxyanilino)pyridine-4-carbonitrile?
3-amino-2-(5-bromo-2-methoxyanilino)pyridine-4-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-2-(5-bromo-2-methoxyanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 82817698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).