6-(3-bromophenyl)pyrido[3,2-d]pyrimidine

C13H8BrN3 — CID 172552156

IUPAC6-(3-bromophenyl)pyrido[3,2-d]pyrimidine
SMILESBrc1cccc(-c2ccc3ncncc3n2)c1
InChIInChI=1S/C13H8BrN3/c14-10-3-1-2-9(6-10)11-4-5-12-13(17-11)7-15-8-16-12/h1-8H
InChIKeyBKWHDBDMHXWPFE-UHFFFAOYSA-N
MW286.13 g/mol
LogP3.45
Rot. Bonds1

About 6-(3-bromophenyl)pyrido[3,2-d]pyrimidine

6-(3-bromophenyl)pyrido[3,2-d]pyrimidine (PubChem CID 172552156) has the molecular formula C13H8BrN3 and a molecular weight of 286.13 g/mol. Its IUPAC name is 6-(3-bromophenyl)pyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-(3-bromophenyl)pyrido[3,2-d]pyrimidine
PubChem CID172552156
Molecular FormulaC13H8BrN3
Molecular Weight286.13 g/mol
Exact Mass284.99
IUPAC Name6-(3-bromophenyl)pyrido[3,2-d]pyrimidine
SMILESBrc1cccc(-c2ccc3ncncc3n2)c1
InChIInChI=1S/C13H8BrN3/c14-10-3-1-2-9(6-10)11-4-5-12-13(17-11)7-15-8-16-12/h1-8H
InChIKeyBKWHDBDMHXWPFE-UHFFFAOYSA-N
XLogP3.45
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(3-bromophenyl)pyrido[3,2-d]pyrimidine 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 6-(3-bromophenyl)pyrido[3,2-d]pyrimidine?
The IUPAC name of 6-(3-bromophenyl)pyrido[3,2-d]pyrimidine (CID 172552156) is 6-(3-bromophenyl)pyrido[3,2-d]pyrimidine.
What is the SMILES notation for 6-(3-bromophenyl)pyrido[3,2-d]pyrimidine?
The canonical SMILES for 6-(3-bromophenyl)pyrido[3,2-d]pyrimidine is Brc1cccc(-c2ccc3ncncc3n2)c1.
What is the InChIKey of 6-(3-bromophenyl)pyrido[3,2-d]pyrimidine?
The InChIKey is BKWHDBDMHXWPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3/c14-10-3-1-2-9(6-10)11-4-5-12-13(17-11)7-15-8-16-12/h1-8H.
What are the key properties of 6-(3-bromophenyl)pyrido[3,2-d]pyrimidine?
6-(3-bromophenyl)pyrido[3,2-d]pyrimidine has a molecular weight of 286.13 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)pyrido[3,2-d]pyrimidine is sourced from PubChem (CID 172552156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).