4-(2-bromophenyl)-6-pyridin-3-ylpyrimidine

C15H10BrN3 — CID 162656267

IUPAC4-(2-bromophenyl)-6-pyridin-3-ylpyrimidine
SMILESBrc1ccccc1-c1cc(-c2cccnc2)ncn1
InChIInChI=1S/C15H10BrN3/c16-13-6-2-1-5-12(13)15-8-14(18-10-19-15)11-4-3-7-17-9-11/h1-10H
InChIKeyFZLMHRRHJJULTB-UHFFFAOYSA-N
MW312.17 g/mol
LogP3.97
Rot. Bonds2

About 4-(2-bromophenyl)-6-pyridin-3-ylpyrimidine

4-(2-bromophenyl)-6-pyridin-3-ylpyrimidine (PubChem CID 162656267) has the molecular formula C15H10BrN3 and a molecular weight of 312.17 g/mol. Its IUPAC name is 4-(2-bromophenyl)-6-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-(2-bromophenyl)-6-pyridin-3-ylpyrimidine
PubChem CID162656267
Molecular FormulaC15H10BrN3
Molecular Weight312.17 g/mol
Exact Mass311.01
IUPAC Name4-(2-bromophenyl)-6-pyridin-3-ylpyrimidine
SMILESBrc1ccccc1-c1cc(-c2cccnc2)ncn1
InChIInChI=1S/C15H10BrN3/c16-13-6-2-1-5-12(13)15-8-14(18-10-19-15)11-4-3-7-17-9-11/h1-10H
InChIKeyFZLMHRRHJJULTB-UHFFFAOYSA-N
XLogP3.97
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-6-pyridin-3-ylpyrimidine?
The IUPAC name of 4-(2-bromophenyl)-6-pyridin-3-ylpyrimidine (CID 162656267) is 4-(2-bromophenyl)-6-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-(2-bromophenyl)-6-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-(2-bromophenyl)-6-pyridin-3-ylpyrimidine is Brc1ccccc1-c1cc(-c2cccnc2)ncn1.
What is the InChIKey of 4-(2-bromophenyl)-6-pyridin-3-ylpyrimidine?
The InChIKey is FZLMHRRHJJULTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3/c16-13-6-2-1-5-12(13)15-8-14(18-10-19-15)11-4-3-7-17-9-11/h1-10H.
What are the key properties of 4-(2-bromophenyl)-6-pyridin-3-ylpyrimidine?
4-(2-bromophenyl)-6-pyridin-3-ylpyrimidine has a molecular weight of 312.17 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-6-pyridin-3-ylpyrimidine is sourced from PubChem (CID 162656267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).