5-amino-2-(4-bromoanilino)pyridine-3-carbonitrile

C12H9BrN4 — CID 54860748

IUPAC5-amino-2-(4-bromoanilino)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1Nc1ccc(Br)cc1
InChIInChI=1S/C12H9BrN4/c13-9-1-3-11(4-2-9)17-12-8(6-14)5-10(15)7-16-12/h1-5,7H,15H2,(H,16,17)
InChIKeyBJPTZEPTMVCZLH-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.04
Rot. Bonds2

About 5-amino-2-(4-bromoanilino)pyridine-3-carbonitrile

5-amino-2-(4-bromoanilino)pyridine-3-carbonitrile (PubChem CID 54860748) has the molecular formula C12H9BrN4 and a molecular weight of 289.14 g/mol. Its IUPAC name is 5-amino-2-(4-bromoanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(4-bromoanilino)pyridine-3-carbonitrile
PubChem CID54860748
Molecular FormulaC12H9BrN4
Molecular Weight289.14 g/mol
Exact Mass288.00
IUPAC Name5-amino-2-(4-bromoanilino)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1Nc1ccc(Br)cc1
InChIInChI=1S/C12H9BrN4/c13-9-1-3-11(4-2-9)17-12-8(6-14)5-10(15)7-16-12/h1-5,7H,15H2,(H,16,17)
InChIKeyBJPTZEPTMVCZLH-UHFFFAOYSA-N
XLogP3.04
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(2,4-dibromoanilino)pyridine-3-carbonitrile
CID 54952819
5-amino-2-(4-bromo-3-methylanilino)pyridine-3-carbonitrile
CID 54938559
5-amino-2-(2,6-dichloroanilino)pyridine-3-carbonitrile
CID 65469093
5-amino-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]pyridine-3-carbonitrile
CID 60922507
5-amino-2-(4-chloro-3-methoxyanilino)pyridine-3-carbonitrile
CID 107620892
5-amino-2-(2,4-dichloroanilino)pyridine-3-carbonitrile
CID 54938417
5-amino-2-(2-iodoanilino)pyridine-3-carbonitrile
CID 54860710
5-amino-2-[(5-bromo-2-fluorophenyl)methylamino]pyridine-3-carbonitrile
CID 61299853
2-(4-bromoanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile
CID 140511768
5-amino-2-(2-chloro-4-fluoroanilino)pyridine-3-carbonitrile
CID 54860679
5-amino-2-(5-cyano-2-methylanilino)pyridine-3-carbonitrile
CID 62103720
5-amino-2-(propan-2-ylamino)pyridine-3-carbonitrile
CID 60922622

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-bromoanilino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(4-bromoanilino)pyridine-3-carbonitrile (CID 54860748) is 5-amino-2-(4-bromoanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(4-bromoanilino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(4-bromoanilino)pyridine-3-carbonitrile is N#Cc1cc(N)cnc1Nc1ccc(Br)cc1.
What is the InChIKey of 5-amino-2-(4-bromoanilino)pyridine-3-carbonitrile?
The InChIKey is BJPTZEPTMVCZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4/c13-9-1-3-11(4-2-9)17-12-8(6-14)5-10(15)7-16-12/h1-5,7H,15H2,(H,16,17).
What are the key properties of 5-amino-2-(4-bromoanilino)pyridine-3-carbonitrile?
5-amino-2-(4-bromoanilino)pyridine-3-carbonitrile has a molecular weight of 289.14 g/mol, XLogP of 3.04, 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-bromoanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 54860748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).