4-(4-bromo-2-methoxyphenyl)-3-chloropyridine

C12H9BrClNO — CID 90079502

IUPAC4-(4-bromo-2-methoxyphenyl)-3-chloropyridine
SMILESCOc1cc(Br)ccc1-c1ccncc1Cl
InChIInChI=1S/C12H9BrClNO/c1-16-12-6-8(13)2-3-10(12)9-4-5-15-7-11(9)14/h2-7H,1H3
InChIKeySRPNLZAVNMESIG-UHFFFAOYSA-N
MW298.57 g/mol
LogP4.17
Rot. Bonds2

About 4-(4-bromo-2-methoxyphenyl)-3-chloropyridine

4-(4-bromo-2-methoxyphenyl)-3-chloropyridine (PubChem CID 90079502) has the molecular formula C12H9BrClNO and a molecular weight of 298.57 g/mol. Its IUPAC name is 4-(4-bromo-2-methoxyphenyl)-3-chloropyridine.

Molecular Properties

Compound Name4-(4-bromo-2-methoxyphenyl)-3-chloropyridine
PubChem CID90079502
Molecular FormulaC12H9BrClNO
Molecular Weight298.57 g/mol
Exact Mass296.96
IUPAC Name4-(4-bromo-2-methoxyphenyl)-3-chloropyridine
SMILESCOc1cc(Br)ccc1-c1ccncc1Cl
InChIInChI=1S/C12H9BrClNO/c1-16-12-6-8(13)2-3-10(12)9-4-5-15-7-11(9)14/h2-7H,1H3
InChIKeySRPNLZAVNMESIG-UHFFFAOYSA-N
XLogP4.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.57
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-bromo-2-methoxyphenyl)-3-chloropyridine 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-(4-bromo-2-methoxyphenyl)-3-chloropyridine?
The IUPAC name of 4-(4-bromo-2-methoxyphenyl)-3-chloropyridine (CID 90079502) is 4-(4-bromo-2-methoxyphenyl)-3-chloropyridine.
What is the SMILES notation for 4-(4-bromo-2-methoxyphenyl)-3-chloropyridine?
The canonical SMILES for 4-(4-bromo-2-methoxyphenyl)-3-chloropyridine is COc1cc(Br)ccc1-c1ccncc1Cl.
What is the InChIKey of 4-(4-bromo-2-methoxyphenyl)-3-chloropyridine?
The InChIKey is SRPNLZAVNMESIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO/c1-16-12-6-8(13)2-3-10(12)9-4-5-15-7-11(9)14/h2-7H,1H3.
What are the key properties of 4-(4-bromo-2-methoxyphenyl)-3-chloropyridine?
4-(4-bromo-2-methoxyphenyl)-3-chloropyridine has a molecular weight of 298.57 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-methoxyphenyl)-3-chloropyridine is sourced from PubChem (CID 90079502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).