2-bromo-4-chloro-5-(trifluoromethyl)pyrimidine

C5HBrClF3N2 — CID 118991334

IUPAC2-bromo-4-chloro-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cnc(Br)nc1Cl
InChIInChI=1S/C5HBrClF3N2/c6-4-11-1-2(3(7)12-4)5(8,9)10/h1H
InChIKeyXJOBZYFIQQXMMA-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.91
Rot. Bonds

About 2-bromo-4-chloro-5-(trifluoromethyl)pyrimidine

2-bromo-4-chloro-5-(trifluoromethyl)pyrimidine (PubChem CID 118991334) has the molecular formula C5HBrClF3N2 and a molecular weight of 261.43 g/mol. Its IUPAC name is 2-bromo-4-chloro-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-bromo-4-chloro-5-(trifluoromethyl)pyrimidine
PubChem CID118991334
Molecular FormulaC5HBrClF3N2
Molecular Weight261.43 g/mol
Exact Mass259.90
IUPAC Name2-bromo-4-chloro-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cnc(Br)nc1Cl
InChIInChI=1S/C5HBrClF3N2/c6-4-11-1-2(3(7)12-4)5(8,9)10/h1H
InChIKeyXJOBZYFIQQXMMA-UHFFFAOYSA-N
XLogP2.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Chloro-5-(trifluoromethyl)pyrimidine
CID 13317019
Pyrimidine, 2,4-dichloro-5-methyl-
CID 74508
2,4-Dichloro-5-iodopyrimidine
CID 263438
2,4-Dichloro-5-fluoropyrimidine
CID 250705
5-Bromo-2,4-dichloropyrimidine
CID 289973
2,4-Dichloro-5-(trifluoromethyl)pyrimidine
CID 2782774
5-(Trifluoromethyl)pyrimidine
CID 15273573
4-Chloro-5-methylpyrimidin-2-amine
CID 588628
2,4-Dichloro-5-cyanopyrimidine
CID 14026907
2,4-Difluoro-5-methylpyrimidine
CID 336950
4-Chloro-5-iodopyrimidine
CID 11230204
5-Bromo-4-chloropyrimidine
CID 12270078

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-bromo-4-chloro-5-(trifluoromethyl)pyrimidine (CID 118991334) is 2-bromo-4-chloro-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-bromo-4-chloro-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-bromo-4-chloro-5-(trifluoromethyl)pyrimidine is FC(F)(F)c1cnc(Br)nc1Cl.
What is the InChIKey of 2-bromo-4-chloro-5-(trifluoromethyl)pyrimidine?
The InChIKey is XJOBZYFIQQXMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HBrClF3N2/c6-4-11-1-2(3(7)12-4)5(8,9)10/h1H.
What are the key properties of 2-bromo-4-chloro-5-(trifluoromethyl)pyrimidine?
2-bromo-4-chloro-5-(trifluoromethyl)pyrimidine has a molecular weight of 261.43 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 118991334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).