2-(4-bromo-3-methylphenoxy)pyridine-4-carbonitrile

C13H9BrN2O — CID 83132770

IUPAC2-(4-bromo-3-methylphenoxy)pyridine-4-carbonitrile
SMILESCc1cc(Oc2cc(C#N)ccn2)ccc1Br
InChIInChI=1S/C13H9BrN2O/c1-9-6-11(2-3-12(9)14)17-13-7-10(8-15)4-5-16-13/h2-7H,1H3
InChIKeyGOBKGWIBJTVRMI-UHFFFAOYSA-N
MW289.13 g/mol
LogP3.82
Rot. Bonds2

About 2-(4-bromo-3-methylphenoxy)pyridine-4-carbonitrile

2-(4-bromo-3-methylphenoxy)pyridine-4-carbonitrile (PubChem CID 83132770) has the molecular formula C13H9BrN2O and a molecular weight of 289.13 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)pyridine-4-carbonitrile
PubChem CID83132770
Molecular FormulaC13H9BrN2O
Molecular Weight289.13 g/mol
Exact Mass287.99
IUPAC Name2-(4-bromo-3-methylphenoxy)pyridine-4-carbonitrile
SMILESCc1cc(Oc2cc(C#N)ccn2)ccc1Br
InChIInChI=1S/C13H9BrN2O/c1-9-6-11(2-3-12(9)14)17-13-7-10(8-15)4-5-16-13/h2-7H,1H3
InChIKeyGOBKGWIBJTVRMI-UHFFFAOYSA-N
XLogP3.82
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-3-methylphenoxy)pyridine-4-carbonitrile 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

2-Phenoxynicotinonitrile
CID 84242
3-Pyridinecarbonitrile, 6-phenoxy-
CID 514828
N-[(2-bromo-5-methoxyphenyl)methyl]pyridin-3-amine
CID 103828029
2-Phenoxy-4-phenylnicotinonitrile
CID 1488776
3-Pyridinecarbonitrile, 6-(4-fluorophenoxy)-
CID 514830
3-Pyridinecarbonitrile, 6-(4-methylphenoxy)-
CID 514831
2-Benzyloxy-5-bromopyridine
CID 11108191
2-(2-Bromophenoxy)pyridine
CID 13169698
2-Benzyloxy-3-bromopyridine
CID 14712456
2-(4-Bromophenoxy)pyridine
CID 23201935
2-(4-Bromophenoxy)-5-(trifluoromethyl)pyridine
CID 2822057
2-Phenoxypyridine-4-carbonitrile
CID 24704536

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)pyridine-4-carbonitrile?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)pyridine-4-carbonitrile (CID 83132770) is 2-(4-bromo-3-methylphenoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)pyridine-4-carbonitrile?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)pyridine-4-carbonitrile is Cc1cc(Oc2cc(C#N)ccn2)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)pyridine-4-carbonitrile?
The InChIKey is GOBKGWIBJTVRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O/c1-9-6-11(2-3-12(9)14)17-13-7-10(8-15)4-5-16-13/h2-7H,1H3.
What are the key properties of 2-(4-bromo-3-methylphenoxy)pyridine-4-carbonitrile?
2-(4-bromo-3-methylphenoxy)pyridine-4-carbonitrile has a molecular weight of 289.13 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 83132770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).