2-(3-bromophenyl)pyrimidine

C10H7BrN2 — CID 26967381

IUPAC2-(3-bromophenyl)pyrimidine
SMILESBrc1cccc(-c2ncccn2)c1
InChIInChI=1S/C10H7BrN2/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1-7H
InChIKeyCETLQDSNTJEASI-UHFFFAOYSA-N
MW235.08 g/mol
LogP2.91
Rot. Bonds1

About 2-(3-bromophenyl)pyrimidine

2-(3-bromophenyl)pyrimidine (PubChem CID 26967381) has the molecular formula C10H7BrN2 and a molecular weight of 235.08 g/mol. Its IUPAC name is 2-(3-bromophenyl)pyrimidine.

Molecular Properties

Compound Name2-(3-bromophenyl)pyrimidine
PubChem CID26967381
Molecular FormulaC10H7BrN2
Molecular Weight235.08 g/mol
Exact Mass233.98
IUPAC Name2-(3-bromophenyl)pyrimidine
SMILESBrc1cccc(-c2ncccn2)c1
InChIInChI=1S/C10H7BrN2/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1-7H
InChIKeyCETLQDSNTJEASI-UHFFFAOYSA-N
XLogP2.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylpropane;2-(3-pyrimidin-2-ylphenyl)pyrimidine
CID 158374042
2-(3,4-dibromophenyl)pyrimidine
CID 66927296
2-(3-bromophenyl)-4-(4-bromophenyl)-6-pyridin-2-ylpyrimidine
CID 151888431
1-[2-(3-bromophenyl)pyrimidin-5-yl]-N-methylmethanamine
CID 62755501
2-(5-bromo-3-pyridinyl)pyrimidine
CID 22735178
1-bromo-3-phenylbenzene
CID 16449
2-(3-bromophenyl)-N-propylpyrimidin-4-amine
CID 55135437
2-phenylpyrimidine
CID 593578
1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 126764180
2-(3-bromophenyl)-5-decylpyrimidine
CID 18934324
2-[3,5-di(pyrimidin-2-yl)phenyl]pyrimidine
CID 59133455
4,6-bis(3-bromophenyl)-2-phenylpyrimidine
CID 71270022

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)pyrimidine?
The IUPAC name of 2-(3-bromophenyl)pyrimidine (CID 26967381) is 2-(3-bromophenyl)pyrimidine.
What is the SMILES notation for 2-(3-bromophenyl)pyrimidine?
The canonical SMILES for 2-(3-bromophenyl)pyrimidine is Brc1cccc(-c2ncccn2)c1.
What is the InChIKey of 2-(3-bromophenyl)pyrimidine?
The InChIKey is CETLQDSNTJEASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1-7H.
What are the key properties of 2-(3-bromophenyl)pyrimidine?
2-(3-bromophenyl)pyrimidine has a molecular weight of 235.08 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)pyrimidine is sourced from PubChem (CID 26967381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).