4-(2-amino-4-bromo-6-methylphenoxy)pyridine-2-carbonitrile

C13H10BrN3O — CID 79843917

IUPAC4-(2-amino-4-bromo-6-methylphenoxy)pyridine-2-carbonitrile
SMILESCc1cc(Br)cc(N)c1Oc1ccnc(C#N)c1
InChIInChI=1S/C13H10BrN3O/c1-8-4-9(14)5-12(16)13(8)18-11-2-3-17-10(6-11)7-15/h2-6H,16H2,1H3
InChIKeyVQBOYKVHOOTYEU-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.40
Rot. Bonds2

About 4-(2-amino-4-bromo-6-methylphenoxy)pyridine-2-carbonitrile

4-(2-amino-4-bromo-6-methylphenoxy)pyridine-2-carbonitrile (PubChem CID 79843917) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is 4-(2-amino-4-bromo-6-methylphenoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-amino-4-bromo-6-methylphenoxy)pyridine-2-carbonitrile
PubChem CID79843917
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC Name4-(2-amino-4-bromo-6-methylphenoxy)pyridine-2-carbonitrile
SMILESCc1cc(Br)cc(N)c1Oc1ccnc(C#N)c1
InChIInChI=1S/C13H10BrN3O/c1-8-4-9(14)5-12(16)13(8)18-11-2-3-17-10(6-11)7-15/h2-6H,16H2,1H3
InChIKeyVQBOYKVHOOTYEU-UHFFFAOYSA-N
XLogP3.40
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(2-amino-4-bromo-6-methylphenoxy)pyridine-2-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-bromo-6-methylphenoxy)pyridine-2-carbonitrile?
The IUPAC name of 4-(2-amino-4-bromo-6-methylphenoxy)pyridine-2-carbonitrile (CID 79843917) is 4-(2-amino-4-bromo-6-methylphenoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(2-amino-4-bromo-6-methylphenoxy)pyridine-2-carbonitrile?
The canonical SMILES for 4-(2-amino-4-bromo-6-methylphenoxy)pyridine-2-carbonitrile is Cc1cc(Br)cc(N)c1Oc1ccnc(C#N)c1.
What is the InChIKey of 4-(2-amino-4-bromo-6-methylphenoxy)pyridine-2-carbonitrile?
The InChIKey is VQBOYKVHOOTYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c1-8-4-9(14)5-12(16)13(8)18-11-2-3-17-10(6-11)7-15/h2-6H,16H2,1H3.
What are the key properties of 4-(2-amino-4-bromo-6-methylphenoxy)pyridine-2-carbonitrile?
4-(2-amino-4-bromo-6-methylphenoxy)pyridine-2-carbonitrile has a molecular weight of 304.15 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-bromo-6-methylphenoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 79843917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).