2-bromo-6-chloro-3,4,5-trifluoropyridine

C5BrClF3N — CID 119021724

IUPAC2-bromo-6-chloro-3,4,5-trifluoropyridine
SMILESFc1c(Cl)nc(Br)c(F)c1F
InChIInChI=1S/C5BrClF3N/c6-4-2(9)1(8)3(10)5(7)11-4
InChIKeyGIAHJAZGQHMFRF-UHFFFAOYSA-N
MW246.41 g/mol
LogP2.91
Rot. Bonds

About 2-bromo-6-chloro-3,4,5-trifluoropyridine

2-bromo-6-chloro-3,4,5-trifluoropyridine (PubChem CID 119021724) has the molecular formula C5BrClF3N and a molecular weight of 246.41 g/mol. Its IUPAC name is 2-bromo-6-chloro-3,4,5-trifluoropyridine.

Molecular Properties

Compound Name2-bromo-6-chloro-3,4,5-trifluoropyridine
PubChem CID119021724
Molecular FormulaC5BrClF3N
Molecular Weight246.41 g/mol
Exact Mass244.89
IUPAC Name2-bromo-6-chloro-3,4,5-trifluoropyridine
SMILESFc1c(Cl)nc(Br)c(F)c1F
InChIInChI=1S/C5BrClF3N/c6-4-2(9)1(8)3(10)5(7)11-4
InChIKeyGIAHJAZGQHMFRF-UHFFFAOYSA-N
XLogP2.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-chloro-3-fluoro-5-methylpyridine
CID 130114370
2-(5-bromofuran-2-yl)-4,6-dichloro-5-fluoropyrimidine
CID 80550973
2,4-dichloro-5-fluoro-1H-pyrimidin-6-one
CID 137121898
1,4-dichloro-5,6,7,8-tetrafluorophthalazine
CID 166067248
2-tert-butyl-4,6-dichloro-5-fluoropyrimidine
CID 79033233
4,6-dichloro-5-fluoro-2-propan-2-ylpyrimidine
CID 79033231
4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-bromo-6-chloro-5-fluoropyridine-3-carboxylic acid
CID 175554842
2-(4-bromo-3-fluorophenyl)-4,6-dichloro-5-fluoropyrimidine
CID 81436237
2,6-dibromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine
CID 11123076
2-(4-bromophenyl)-4-chloro-5-fluoro-6-methylpyrimidine
CID 66000623
4-bromo-2,6-dichloro-5-fluoropyridine-3-carbonyl chloride;4-bromo-2,6-dichloro-5-fluoropyridine-3-carboxylic acid
CID 167692592
2,6-dichloro-5-fluoro-4-methylpyridine-3-carbonyl chloride
CID 54448923

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-3,4,5-trifluoropyridine?
The IUPAC name of 2-bromo-6-chloro-3,4,5-trifluoropyridine (CID 119021724) is 2-bromo-6-chloro-3,4,5-trifluoropyridine.
What is the SMILES notation for 2-bromo-6-chloro-3,4,5-trifluoropyridine?
The canonical SMILES for 2-bromo-6-chloro-3,4,5-trifluoropyridine is Fc1c(Cl)nc(Br)c(F)c1F.
What is the InChIKey of 2-bromo-6-chloro-3,4,5-trifluoropyridine?
The InChIKey is GIAHJAZGQHMFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5BrClF3N/c6-4-2(9)1(8)3(10)5(7)11-4.
What are the key properties of 2-bromo-6-chloro-3,4,5-trifluoropyridine?
2-bromo-6-chloro-3,4,5-trifluoropyridine has a molecular weight of 246.41 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-3,4,5-trifluoropyridine is sourced from PubChem (CID 119021724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).