2-(3-bromo-4-fluorophenyl)-1,3,5-triazine

C9H5BrFN3 — CID 82481921

IUPAC2-(3-bromo-4-fluorophenyl)-1,3,5-triazine
SMILESFc1ccc(-c2ncncn2)cc1Br
InChIInChI=1S/C9H5BrFN3/c10-7-3-6(1-2-8(7)11)9-13-4-12-5-14-9/h1-5H
InChIKeyDOUKLSMQVFZFSI-UHFFFAOYSA-N
MW254.06 g/mol
LogP2.44
Rot. Bonds1

About 2-(3-bromo-4-fluorophenyl)-1,3,5-triazine

2-(3-bromo-4-fluorophenyl)-1,3,5-triazine (PubChem CID 82481921) has the molecular formula C9H5BrFN3 and a molecular weight of 254.06 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1,3,5-triazine
PubChem CID82481921
Molecular FormulaC9H5BrFN3
Molecular Weight254.06 g/mol
Exact Mass252.97
IUPAC Name2-(3-bromo-4-fluorophenyl)-1,3,5-triazine
SMILESFc1ccc(-c2ncncn2)cc1Br
InChIInChI=1S/C9H5BrFN3/c10-7-3-6(1-2-8(7)11)9-13-4-12-5-14-9/h1-5H
InChIKeyDOUKLSMQVFZFSI-UHFFFAOYSA-N
XLogP2.44
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.06
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-fluorophenyl)-5-(chloromethyl)pyrimidine
CID 82802858
[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]methanamine
CID 82802967
1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]-N-methylmethanamine
CID 82802968
5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloropyrimidine
CID 82809152
1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]propan-2-amine
CID 82803660
4-(3-bromo-4-fluorophenyl)-6-methylpyrimidine
CID 82487191
2-bromo-1-fluoro-4-(4-methylphenyl)benzene
CID 115049308
2-bromo-1-fluoro-4-phenylbenzene
CID 2773367
2-methyl-4-(1,3,5-triazin-2-yl)aniline
CID 82468520
2-(3-bromo-4-fluorophenyl)-N-ethylpyrimidin-4-amine
CID 82801474
2-(3-bromo-4-fluorophenyl)-4-chloro-6-phenylpyrimidine
CID 82790034
5-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 82788331

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1,3,5-triazine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1,3,5-triazine (CID 82481921) is 2-(3-bromo-4-fluorophenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1,3,5-triazine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1,3,5-triazine is Fc1ccc(-c2ncncn2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1,3,5-triazine?
The InChIKey is DOUKLSMQVFZFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFN3/c10-7-3-6(1-2-8(7)11)9-13-4-12-5-14-9/h1-5H.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1,3,5-triazine?
2-(3-bromo-4-fluorophenyl)-1,3,5-triazine has a molecular weight of 254.06 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-1,3,5-triazine is sourced from PubChem (CID 82481921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).