5-bromo-2-(pyridin-2-ylmethoxy)benzonitrile

C13H9BrN2O — CID 80601974

IUPAC5-bromo-2-(pyridin-2-ylmethoxy)benzonitrile
SMILESN#Cc1cc(Br)ccc1OCc1ccccn1
InChIInChI=1S/C13H9BrN2O/c14-11-4-5-13(10(7-11)8-15)17-9-12-3-1-2-6-16-12/h1-7H,9H2
InChIKeyORXBZQOKHSZFPU-UHFFFAOYSA-N
MW289.13 g/mol
LogP3.29
Rot. Bonds3

About 5-bromo-2-(pyridin-2-ylmethoxy)benzonitrile

5-bromo-2-(pyridin-2-ylmethoxy)benzonitrile (PubChem CID 80601974) has the molecular formula C13H9BrN2O and a molecular weight of 289.13 g/mol. Its IUPAC name is 5-bromo-2-(pyridin-2-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name5-bromo-2-(pyridin-2-ylmethoxy)benzonitrile
PubChem CID80601974
Molecular FormulaC13H9BrN2O
Molecular Weight289.13 g/mol
Exact Mass287.99
IUPAC Name5-bromo-2-(pyridin-2-ylmethoxy)benzonitrile
SMILESN#Cc1cc(Br)ccc1OCc1ccccn1
InChIInChI=1S/C13H9BrN2O/c14-11-4-5-13(10(7-11)8-15)17-9-12-3-1-2-6-16-12/h1-7H,9H2
InChIKeyORXBZQOKHSZFPU-UHFFFAOYSA-N
XLogP3.29
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-(pyridin-2-ylmethoxy)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 78937400
5-bromo-2-(pyridin-2-ylmethoxy)benzoic acid
CID 28981361
5-amino-2-(pyrimidin-2-ylmethoxy)benzonitrile
CID 55108435
5-bromo-2-[(3,4-dimethoxyphenyl)methoxy]benzonitrile
CID 80698460
4-methoxy-3-(pyridin-2-ylmethoxy)benzonitrile
CID 117053030
2-[2-(2-aminophenyl)ethoxy]-5-bromobenzonitrile
CID 102902840
2-amino-5-bromo-3-(2-pyridin-2-ylethoxy)benzonitrile
CID 58540785
5-bromo-2-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile
CID 80962290
5-bromo-2-prop-2-ynoxybenzonitrile
CID 83145923
5-bromo-2-(2-fluoroethoxy)benzonitrile
CID 80601674
5-bromo-2-pent-4-ynoxybenzonitrile
CID 112548329
5-bromo-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzonitrile
CID 80605077

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(pyridin-2-ylmethoxy)benzonitrile?
The IUPAC name of 5-bromo-2-(pyridin-2-ylmethoxy)benzonitrile (CID 80601974) is 5-bromo-2-(pyridin-2-ylmethoxy)benzonitrile.
What is the SMILES notation for 5-bromo-2-(pyridin-2-ylmethoxy)benzonitrile?
The canonical SMILES for 5-bromo-2-(pyridin-2-ylmethoxy)benzonitrile is N#Cc1cc(Br)ccc1OCc1ccccn1.
What is the InChIKey of 5-bromo-2-(pyridin-2-ylmethoxy)benzonitrile?
The InChIKey is ORXBZQOKHSZFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O/c14-11-4-5-13(10(7-11)8-15)17-9-12-3-1-2-6-16-12/h1-7H,9H2.
What are the key properties of 5-bromo-2-(pyridin-2-ylmethoxy)benzonitrile?
5-bromo-2-(pyridin-2-ylmethoxy)benzonitrile has a molecular weight of 289.13 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(pyridin-2-ylmethoxy)benzonitrile is sourced from PubChem (CID 80601974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).