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

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Related Compounds

6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine
CID 68841317
6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidine
CID 68916896
2-quinazolin-6-ylquinoxaline
CID 135299830
4-(3-bromophenyl)-2-[5-(3-bromophenyl)-1,3-thiazol-2-yl]-1,3-thiazole
CID 51045264
4,6-bis(3-bromophenyl)-2-phenylpyrimidine
CID 71270022
2,6-bis(3-bromophenyl)-4-phenylpyridine
CID 59428691
2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine
CID 154704995
2-(3-bromophenyl)-4-propan-2-ylpyridine
CID 118651864
6-bromo-2-(3-methoxyphenyl)quinoline
CID 53443478
1-(3-bromophenyl)-2-quinazolin-7-yloxyethanol
CID 167985590
6-(3-bromophenyl)pyridine-2-carboxylic acid
CID 82378732
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628

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).