2-(4-bromophenyl)pyrimidine

C10H7BrN2 — CID 22287544

IUPAC2-(4-bromophenyl)pyrimidine
SMILESBrc1ccc(-c2ncccn2)cc1
InChIInChI=1S/C10H7BrN2/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h1-7H
InChIKeyPFLPZHPQFNFTRF-UHFFFAOYSA-N
MW235.08 g/mol
LogP2.91
Rot. Bonds1

About 2-(4-bromophenyl)pyrimidine

2-(4-bromophenyl)pyrimidine (PubChem CID 22287544) has the molecular formula C10H7BrN2 and a molecular weight of 235.08 g/mol. Its IUPAC name is 2-(4-bromophenyl)pyrimidine.

Molecular Properties

Compound Name2-(4-bromophenyl)pyrimidine
PubChem CID22287544
Molecular FormulaC10H7BrN2
Molecular Weight235.08 g/mol
Exact Mass233.98
IUPAC Name2-(4-bromophenyl)pyrimidine
SMILESBrc1ccc(-c2ncccn2)cc1
InChIInChI=1S/C10H7BrN2/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h1-7H
InChIKeyPFLPZHPQFNFTRF-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-(Phenylethynyl)pyrimidine
CID 12490583
5-(4-Bromophenyl)pyrimidine-2,4-diamine
CID 504037
2-[4-[(3-Bromophenyl)methyl]-1-piperazinyl]pyrimidine
CID 754229
2-Benzyl-4-methylpyrimidine
CID 915660
2-(Pyridin-3-yl)pyrimidine
CID 13349629
4-Pyrimidin-2-ylbenzylamine
CID 24229559
4-Chloro-2-phenylpyrimidine
CID 259157
2-Phenylpyrimidine
CID 593578
2-(3-Bromophenyl)pyrido[2,3-d]pyrimidine
CID 44435039
3-(4-Bromophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 657827
2-(4-Bromophenyl)-5-phenylpyrimidine
CID 768098
5-[(4-Bromophenyl)methyl]pyrimidine-2,4-diamine
CID 14727372

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)pyrimidine?
The IUPAC name of 2-(4-bromophenyl)pyrimidine (CID 22287544) is 2-(4-bromophenyl)pyrimidine.
What is the SMILES notation for 2-(4-bromophenyl)pyrimidine?
The canonical SMILES for 2-(4-bromophenyl)pyrimidine is Brc1ccc(-c2ncccn2)cc1.
What is the InChIKey of 2-(4-bromophenyl)pyrimidine?
The InChIKey is PFLPZHPQFNFTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h1-7H.
What are the key properties of 2-(4-bromophenyl)pyrimidine?
2-(4-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-(4-bromophenyl)pyrimidine is sourced from PubChem (CID 22287544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).