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

C15H10BrN3 — CID 162644727

IUPAC4-(3-bromophenyl)-6-pyridin-3-ylpyrimidine
SMILESBrc1cccc(-c2cc(-c3cccnc3)ncn2)c1
InChIInChI=1S/C15H10BrN3/c16-13-5-1-3-11(7-13)14-8-15(19-10-18-14)12-4-2-6-17-9-12/h1-10H
InChIKeyHGVCCRWJSUKOPU-UHFFFAOYSA-N
MW312.17 g/mol
LogP3.97
Rot. Bonds2

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

4-(3-bromophenyl)-6-pyridin-3-ylpyrimidine (PubChem CID 162644727) has the molecular formula C15H10BrN3 and a molecular weight of 312.17 g/mol. Its IUPAC name is 4-(3-bromophenyl)-6-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-(3-bromophenyl)-6-pyridin-3-ylpyrimidine
PubChem CID162644727
Molecular FormulaC15H10BrN3
Molecular Weight312.17 g/mol
Exact Mass311.01
IUPAC Name4-(3-bromophenyl)-6-pyridin-3-ylpyrimidine
SMILESBrc1cccc(-c2cc(-c3cccnc3)ncn2)c1
InChIInChI=1S/C15H10BrN3/c16-13-5-1-3-11(7-13)14-8-15(19-10-18-14)12-4-2-6-17-9-12/h1-10H
InChIKeyHGVCCRWJSUKOPU-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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Related Compounds

CID 18923
CID 18923
CID 598777
CID 598777
CID 5328249
CID 5328249
CID 817541
CID 817541
CID 12450582
CID 12450582
CID 720655
CID 720655
CID 382059
CID 382059
CID 5328055
CID 5328055
CID 5328056
CID 5328056
CID 5328082
CID 5328082
CID 10200069
CID 10200069
CID 10332554
CID 10332554

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-6-pyridin-3-ylpyrimidine?
The IUPAC name of 4-(3-bromophenyl)-6-pyridin-3-ylpyrimidine (CID 162644727) is 4-(3-bromophenyl)-6-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-(3-bromophenyl)-6-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-(3-bromophenyl)-6-pyridin-3-ylpyrimidine is Brc1cccc(-c2cc(-c3cccnc3)ncn2)c1.
What is the InChIKey of 4-(3-bromophenyl)-6-pyridin-3-ylpyrimidine?
The InChIKey is HGVCCRWJSUKOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3/c16-13-5-1-3-11(7-13)14-8-15(19-10-18-14)12-4-2-6-17-9-12/h1-10H.
What are the key properties of 4-(3-bromophenyl)-6-pyridin-3-ylpyrimidine?
4-(3-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-(3-bromophenyl)-6-pyridin-3-ylpyrimidine is sourced from PubChem (CID 162644727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).