5-(2-bromoanilino)pyridine-2-carbonitrile

C12H8BrN3 — CID 115487447

IUPAC5-(2-bromoanilino)pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2ccccc2Br)cn1
InChIInChI=1S/C12H8BrN3/c13-11-3-1-2-4-12(11)16-10-6-5-9(7-14)15-8-10/h1-6,8,16H
InChIKeyZKTSKFXVIJZNRD-UHFFFAOYSA-N
MW274.12 g/mol
LogP3.46
Rot. Bonds2

About 5-(2-bromoanilino)pyridine-2-carbonitrile

5-(2-bromoanilino)pyridine-2-carbonitrile (PubChem CID 115487447) has the molecular formula C12H8BrN3 and a molecular weight of 274.12 g/mol. Its IUPAC name is 5-(2-bromoanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(2-bromoanilino)pyridine-2-carbonitrile
PubChem CID115487447
Molecular FormulaC12H8BrN3
Molecular Weight274.12 g/mol
Exact Mass272.99
IUPAC Name5-(2-bromoanilino)pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2ccccc2Br)cn1
InChIInChI=1S/C12H8BrN3/c13-11-3-1-2-4-12(11)16-10-6-5-9(7-14)15-8-10/h1-6,8,16H
InChIKeyZKTSKFXVIJZNRD-UHFFFAOYSA-N
XLogP3.46
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5-bromopyrimidin-2-yl)amino]pyridine-2-carbonitrile
CID 134512316
5-[(2-methylquinolin-8-yl)amino]pyridine-2-carbonitrile
CID 115487676
2-bromo-4-(2-bromoanilino)benzonitrile
CID 107275827
5-(2-bromo-4,6-difluoroanilino)pyridine-2-carbonitrile
CID 113320557
5-(4-bromo-2,6-dimethylanilino)pyridine-2-carbonitrile
CID 115487739
5-(5-cyano-2-methylanilino)pyridine-2-carbonitrile
CID 115487650
5-(3,4-dichloroanilino)pyridine-2-carbonitrile
CID 113320534
5-(5-amino-2-chloroanilino)pyridine-2-carbonitrile
CID 115490340
N-[5-(2-bromoanilino)-2-pyridinyl]methanesulfonamide
CID 113035997
2-(2-bromoanilino)benzonitrile
CID 28602037
5-[(5-chloroquinolin-8-yl)amino]pyridine-2-carbonitrile
CID 116784530
5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
CID 115487437

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoanilino)pyridine-2-carbonitrile?
The IUPAC name of 5-(2-bromoanilino)pyridine-2-carbonitrile (CID 115487447) is 5-(2-bromoanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(2-bromoanilino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(2-bromoanilino)pyridine-2-carbonitrile is N#Cc1ccc(Nc2ccccc2Br)cn1.
What is the InChIKey of 5-(2-bromoanilino)pyridine-2-carbonitrile?
The InChIKey is ZKTSKFXVIJZNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3/c13-11-3-1-2-4-12(11)16-10-6-5-9(7-14)15-8-10/h1-6,8,16H.
What are the key properties of 5-(2-bromoanilino)pyridine-2-carbonitrile?
5-(2-bromoanilino)pyridine-2-carbonitrile has a molecular weight of 274.12 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 115487447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).