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

C13H11BrN4 — CID 54938559

IUPAC5-amino-2-(4-bromo-3-methylanilino)pyridine-3-carbonitrile
SMILESCc1cc(Nc2ncc(N)cc2C#N)ccc1Br
InChIInChI=1S/C13H11BrN4/c1-8-4-11(2-3-12(8)14)18-13-9(6-15)5-10(16)7-17-13/h2-5,7H,16H2,1H3,(H,17,18)
InChIKeyLOSOSPOVQCNXPG-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.35
Rot. Bonds2

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

5-amino-2-(4-bromo-3-methylanilino)pyridine-3-carbonitrile (PubChem CID 54938559) has the molecular formula C13H11BrN4 and a molecular weight of 303.16 g/mol. Its IUPAC name is 5-amino-2-(4-bromo-3-methylanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(4-bromo-3-methylanilino)pyridine-3-carbonitrile
PubChem CID54938559
Molecular FormulaC13H11BrN4
Molecular Weight303.16 g/mol
Exact Mass302.02
IUPAC Name5-amino-2-(4-bromo-3-methylanilino)pyridine-3-carbonitrile
SMILESCc1cc(Nc2ncc(N)cc2C#N)ccc1Br
InChIInChI=1S/C13H11BrN4/c1-8-4-11(2-3-12(8)14)18-13-9(6-15)5-10(16)7-17-13/h2-5,7H,16H2,1H3,(H,17,18)
InChIKeyLOSOSPOVQCNXPG-UHFFFAOYSA-N
XLogP3.35
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(4-bromoanilino)pyridine-3-carbonitrile
CID 54860748
5-amino-2-(2,4-dibromoanilino)pyridine-3-carbonitrile
CID 54952819
5-amino-2-(5-cyano-2-methylanilino)pyridine-3-carbonitrile
CID 62103720
5-amino-2-(4-chloro-3-methoxyanilino)pyridine-3-carbonitrile
CID 107620892
5-amino-2-(2,5-dichloro-4-methylanilino)pyridine-3-carbonitrile
CID 104725902
2-(4-bromo-3-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63510886
5-amino-2-(2,6-dichloroanilino)pyridine-3-carbonitrile
CID 65469093
5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carbonitrile
CID 103584541
5-amino-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]pyridine-3-carbonitrile
CID 60922507
4-(4-bromo-3-methylanilino)quinoline-3-carbonitrile
CID 43668947
5-amino-2-(propan-2-ylamino)pyridine-3-carbonitrile
CID 60922622
2-N-(4-bromo-3-methylphenyl)pyrazine-2,5-diamine
CID 80652758

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-bromo-3-methylanilino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(4-bromo-3-methylanilino)pyridine-3-carbonitrile (CID 54938559) is 5-amino-2-(4-bromo-3-methylanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(4-bromo-3-methylanilino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(4-bromo-3-methylanilino)pyridine-3-carbonitrile is Cc1cc(Nc2ncc(N)cc2C#N)ccc1Br.
What is the InChIKey of 5-amino-2-(4-bromo-3-methylanilino)pyridine-3-carbonitrile?
The InChIKey is LOSOSPOVQCNXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4/c1-8-4-11(2-3-12(8)14)18-13-9(6-15)5-10(16)7-17-13/h2-5,7H,16H2,1H3,(H,17,18).
What are the key properties of 5-amino-2-(4-bromo-3-methylanilino)pyridine-3-carbonitrile?
5-amino-2-(4-bromo-3-methylanilino)pyridine-3-carbonitrile has a molecular weight of 303.16 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-bromo-3-methylanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 54938559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).