4-(6-amino-3-bromo-2-pyridinyl)benzonitrile

C12H8BrN3 — CID 122582132

IUPAC4-(6-amino-3-bromo-2-pyridinyl)benzonitrile
SMILESN#Cc1ccc(-c2nc(N)ccc2Br)cc1
InChIInChI=1S/C12H8BrN3/c13-10-5-6-11(15)16-12(10)9-3-1-8(7-14)2-4-9/h1-6H,(H2,15,16)
InChIKeyBPSJLVXCZYSRIR-UHFFFAOYSA-N
MW274.12 g/mol
LogP2.96
Rot. Bonds1

About 4-(6-amino-3-bromo-2-pyridinyl)benzonitrile

4-(6-amino-3-bromo-2-pyridinyl)benzonitrile (PubChem CID 122582132) has the molecular formula C12H8BrN3 and a molecular weight of 274.12 g/mol. Its IUPAC name is 4-(6-amino-3-bromo-2-pyridinyl)benzonitrile.

Molecular Properties

Compound Name4-(6-amino-3-bromo-2-pyridinyl)benzonitrile
PubChem CID122582132
Molecular FormulaC12H8BrN3
Molecular Weight274.12 g/mol
Exact Mass272.99
IUPAC Name4-(6-amino-3-bromo-2-pyridinyl)benzonitrile
SMILESN#Cc1ccc(-c2nc(N)ccc2Br)cc1
InChIInChI=1S/C12H8BrN3/c13-10-5-6-11(15)16-12(10)9-3-1-8(7-14)2-4-9/h1-6H,(H2,15,16)
InChIKeyBPSJLVXCZYSRIR-UHFFFAOYSA-N
XLogP2.96
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-3-bromo-2-pyridinyl)benzonitrile?
The IUPAC name of 4-(6-amino-3-bromo-2-pyridinyl)benzonitrile (CID 122582132) is 4-(6-amino-3-bromo-2-pyridinyl)benzonitrile.
What is the SMILES notation for 4-(6-amino-3-bromo-2-pyridinyl)benzonitrile?
The canonical SMILES for 4-(6-amino-3-bromo-2-pyridinyl)benzonitrile is N#Cc1ccc(-c2nc(N)ccc2Br)cc1.
What is the InChIKey of 4-(6-amino-3-bromo-2-pyridinyl)benzonitrile?
The InChIKey is BPSJLVXCZYSRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3/c13-10-5-6-11(15)16-12(10)9-3-1-8(7-14)2-4-9/h1-6H,(H2,15,16).
What are the key properties of 4-(6-amino-3-bromo-2-pyridinyl)benzonitrile?
4-(6-amino-3-bromo-2-pyridinyl)benzonitrile has a molecular weight of 274.12 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-3-bromo-2-pyridinyl)benzonitrile is sourced from PubChem (CID 122582132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).