3-bromo-4-chloro-5-(difluoromethyl)-2-fluoropyridine

C6H2BrClF3N — CID 130107809

IUPAC3-bromo-4-chloro-5-(difluoromethyl)-2-fluoropyridine
SMILESFc1ncc(C(F)F)c(Cl)c1Br
InChIInChI=1S/C6H2BrClF3N/c7-3-4(8)2(5(9)10)1-12-6(3)11/h1,5H
InChIKeyJLBNMNPMNXOESA-UHFFFAOYSA-N
MW260.44 g/mol
LogP3.57
Rot. Bonds1

About 3-bromo-4-chloro-5-(difluoromethyl)-2-fluoropyridine

3-bromo-4-chloro-5-(difluoromethyl)-2-fluoropyridine (PubChem CID 130107809) has the molecular formula C6H2BrClF3N and a molecular weight of 260.44 g/mol. Its IUPAC name is 3-bromo-4-chloro-5-(difluoromethyl)-2-fluoropyridine.

Molecular Properties

Compound Name3-bromo-4-chloro-5-(difluoromethyl)-2-fluoropyridine
PubChem CID130107809
Molecular FormulaC6H2BrClF3N
Molecular Weight260.44 g/mol
Exact Mass258.90
IUPAC Name3-bromo-4-chloro-5-(difluoromethyl)-2-fluoropyridine
SMILESFc1ncc(C(F)F)c(Cl)c1Br
InChIInChI=1S/C6H2BrClF3N/c7-3-4(8)2(5(9)10)1-12-6(3)11/h1,5H
InChIKeyJLBNMNPMNXOESA-UHFFFAOYSA-N
XLogP3.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.44
LogP ≤ 53.57
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

3,4-dichloro-5-(difluoromethyl)-2-fluoropyridine
CID 130099211
4-chloro-5-(difluoromethyl)-2-fluoropyridin-3-ol
CID 118839459
3-bromo-5-(difluoromethyl)-2-fluoro-4-methoxypyridine
CID 130109360
2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130108175
4-chloro-3-(difluoromethyl)-5-fluoropyridine
CID 130095389
2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130108367
4-bromo-5-(difluoromethyl)-2-fluoropyridine-3-sulfonyl chloride
CID 118850691
[3-chloro-5-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine
CID 118829918
4-bromo-3-chloro-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118811799
4-bromo-2-chloro-5-(difluoromethyl)pyridin-3-ol
CID 118799512
4-bromo-5-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)pyridine
CID 118833826
3-(difluoromethyl)-2,5-difluoropyridine
CID 70480194

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-5-(difluoromethyl)-2-fluoropyridine?
The IUPAC name of 3-bromo-4-chloro-5-(difluoromethyl)-2-fluoropyridine (CID 130107809) is 3-bromo-4-chloro-5-(difluoromethyl)-2-fluoropyridine.
What is the SMILES notation for 3-bromo-4-chloro-5-(difluoromethyl)-2-fluoropyridine?
The canonical SMILES for 3-bromo-4-chloro-5-(difluoromethyl)-2-fluoropyridine is Fc1ncc(C(F)F)c(Cl)c1Br.
What is the InChIKey of 3-bromo-4-chloro-5-(difluoromethyl)-2-fluoropyridine?
The InChIKey is JLBNMNPMNXOESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClF3N/c7-3-4(8)2(5(9)10)1-12-6(3)11/h1,5H.
What are the key properties of 3-bromo-4-chloro-5-(difluoromethyl)-2-fluoropyridine?
3-bromo-4-chloro-5-(difluoromethyl)-2-fluoropyridine has a molecular weight of 260.44 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-5-(difluoromethyl)-2-fluoropyridine is sourced from PubChem (CID 130107809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).