4-bromo-5-(bromomethyl)-2-chloro-3-(difluoromethyl)pyridine

C7H4Br2ClF2N — CID 118850008

IUPAC4-bromo-5-(bromomethyl)-2-chloro-3-(difluoromethyl)pyridine
SMILESFC(F)c1c(Cl)ncc(CBr)c1Br
InChIInChI=1S/C7H4Br2ClF2N/c8-1-3-2-13-6(10)4(5(3)9)7(11)12/h2,7H,1H2
InChIKeyLRNBLOHIRZEZNP-UHFFFAOYSA-N
MW335.37 g/mol
LogP4.33
Rot. Bonds2

About 4-bromo-5-(bromomethyl)-2-chloro-3-(difluoromethyl)pyridine

4-bromo-5-(bromomethyl)-2-chloro-3-(difluoromethyl)pyridine (PubChem CID 118850008) has the molecular formula C7H4Br2ClF2N and a molecular weight of 335.37 g/mol. Its IUPAC name is 4-bromo-5-(bromomethyl)-2-chloro-3-(difluoromethyl)pyridine.

Molecular Properties

Compound Name4-bromo-5-(bromomethyl)-2-chloro-3-(difluoromethyl)pyridine
PubChem CID118850008
Molecular FormulaC7H4Br2ClF2N
Molecular Weight335.37 g/mol
Exact Mass332.84
IUPAC Name4-bromo-5-(bromomethyl)-2-chloro-3-(difluoromethyl)pyridine
SMILESFC(F)c1c(Cl)ncc(CBr)c1Br
InChIInChI=1S/C7H4Br2ClF2N/c8-1-3-2-13-6(10)4(5(3)9)7(11)12/h2,7H,1H2
InChIKeyLRNBLOHIRZEZNP-UHFFFAOYSA-N
XLogP4.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-2-chloro-4-(difluoromethyl)-3-nitropyridine
CID 130074711
2-[4-(bromomethyl)-6-chloro-5-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075171
4-(bromomethyl)-2-chloro-3-(difluoromethyl)-5-iodopyridine
CID 130073145
2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine
CID 119019587
3-bromo-2-chloro-4-(difluoromethyl)-5-iodopyridine
CID 130107872
2-chloro-5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 119009541
[5,6-dichloro-4-(difluoromethyl)-3-pyridinyl]methanol
CID 119020401
5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130104035
4-(bromomethyl)-2-chloro-3-(difluoromethyl)-6-fluoropyridine
CID 130071761
2-bromo-4-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine
CID 119022825
4-bromo-5-(chloromethyl)-3-(difluoromethyl)-2-methoxypyridine
CID 118799277
[6-chloro-5-(difluoromethyl)-4-methoxy-3-pyridinyl]methanamine
CID 130073732

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(bromomethyl)-2-chloro-3-(difluoromethyl)pyridine?
The IUPAC name of 4-bromo-5-(bromomethyl)-2-chloro-3-(difluoromethyl)pyridine (CID 118850008) is 4-bromo-5-(bromomethyl)-2-chloro-3-(difluoromethyl)pyridine.
What is the SMILES notation for 4-bromo-5-(bromomethyl)-2-chloro-3-(difluoromethyl)pyridine?
The canonical SMILES for 4-bromo-5-(bromomethyl)-2-chloro-3-(difluoromethyl)pyridine is FC(F)c1c(Cl)ncc(CBr)c1Br.
What is the InChIKey of 4-bromo-5-(bromomethyl)-2-chloro-3-(difluoromethyl)pyridine?
The InChIKey is LRNBLOHIRZEZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2ClF2N/c8-1-3-2-13-6(10)4(5(3)9)7(11)12/h2,7H,1H2.
What are the key properties of 4-bromo-5-(bromomethyl)-2-chloro-3-(difluoromethyl)pyridine?
4-bromo-5-(bromomethyl)-2-chloro-3-(difluoromethyl)pyridine has a molecular weight of 335.37 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(bromomethyl)-2-chloro-3-(difluoromethyl)pyridine is sourced from PubChem (CID 118850008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).