3-[(5-bromo-2-pyridinyl)amino]benzonitrile

C12H8BrN3 — CID 61375083

IUPAC3-[(5-bromo-2-pyridinyl)amino]benzonitrile
SMILESN#Cc1cccc(Nc2ccc(Br)cn2)c1
InChIInChI=1S/C12H8BrN3/c13-10-4-5-12(15-8-10)16-11-3-1-2-9(6-11)7-14/h1-6,8H,(H,15,16)
InChIKeyZKRYWUWJZLYINR-UHFFFAOYSA-N
MW274.12 g/mol
LogP3.46
Rot. Bonds2

About 3-[(5-bromo-2-pyridinyl)amino]benzonitrile

3-[(5-bromo-2-pyridinyl)amino]benzonitrile (PubChem CID 61375083) has the molecular formula C12H8BrN3 and a molecular weight of 274.12 g/mol. Its IUPAC name is 3-[(5-bromo-2-pyridinyl)amino]benzonitrile.

Molecular Properties

Compound Name3-[(5-bromo-2-pyridinyl)amino]benzonitrile
PubChem CID61375083
Molecular FormulaC12H8BrN3
Molecular Weight274.12 g/mol
Exact Mass272.99
IUPAC Name3-[(5-bromo-2-pyridinyl)amino]benzonitrile
SMILESN#Cc1cccc(Nc2ccc(Br)cn2)c1
InChIInChI=1S/C12H8BrN3/c13-10-4-5-12(15-8-10)16-11-3-1-2-9(6-11)7-14/h1-6,8H,(H,15,16)
InChIKeyZKRYWUWJZLYINR-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-bromo-N-(3-bromophenyl)pyridin-2-amine
CID 61375271
3-[[2-(4-bromoanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112904486
3-[[5-(2-aminocyclopropyl)-2-pyridinyl]amino]benzonitrile
CID 66980398
5-[(5-bromo-2-pyridinyl)amino]-2-fluorobenzonitrile
CID 55057972
N-(2-bromophenyl)-6-(3-cyanoanilino)pyridine-3-carboxamide
CID 109164780
1-N-(5-bromo-2-pyridinyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115379125
3-[[6-(4-bromo-2-methylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112867017
3-[(6-anilinopyrimidin-4-yl)amino]benzonitrile
CID 112864808
4-[(5-bromo-2-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile
CID 65484365
5-bromo-N-(6-bromonaphthalen-2-yl)pyridin-2-amine
CID 81260199
3-[(3-bromo-4-pyridinyl)amino]benzonitrile
CID 104777953
N-(3-cyanophenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide
CID 109165005

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-pyridinyl)amino]benzonitrile?
The IUPAC name of 3-[(5-bromo-2-pyridinyl)amino]benzonitrile (CID 61375083) is 3-[(5-bromo-2-pyridinyl)amino]benzonitrile.
What is the SMILES notation for 3-[(5-bromo-2-pyridinyl)amino]benzonitrile?
The canonical SMILES for 3-[(5-bromo-2-pyridinyl)amino]benzonitrile is N#Cc1cccc(Nc2ccc(Br)cn2)c1.
What is the InChIKey of 3-[(5-bromo-2-pyridinyl)amino]benzonitrile?
The InChIKey is ZKRYWUWJZLYINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3/c13-10-4-5-12(15-8-10)16-11-3-1-2-9(6-11)7-14/h1-6,8H,(H,15,16).
What are the key properties of 3-[(5-bromo-2-pyridinyl)amino]benzonitrile?
3-[(5-bromo-2-pyridinyl)amino]benzonitrile 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 3-[(5-bromo-2-pyridinyl)amino]benzonitrile is sourced from PubChem (CID 61375083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).