3-bromo-2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine

C7H4BrCl2F2N — CID 130108097

IUPAC3-bromo-2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine
SMILESFC(F)c1cc(CCl)c(Br)c(Cl)n1
InChIInChI=1S/C7H4BrCl2F2N/c8-5-3(2-9)1-4(7(11)12)13-6(5)10/h1,7H,2H2
InChIKeyVSGRMCOYLQTRDU-UHFFFAOYSA-N
MW290.92 g/mol
LogP4.17
Rot. Bonds2

About 3-bromo-2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine

3-bromo-2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine (PubChem CID 130108097) has the molecular formula C7H4BrCl2F2N and a molecular weight of 290.92 g/mol. Its IUPAC name is 3-bromo-2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine.

Molecular Properties

Compound Name3-bromo-2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine
PubChem CID130108097
Molecular FormulaC7H4BrCl2F2N
Molecular Weight290.92 g/mol
Exact Mass288.89
IUPAC Name3-bromo-2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine
SMILESFC(F)c1cc(CCl)c(Br)c(Cl)n1
InChIInChI=1S/C7H4BrCl2F2N/c8-5-3(2-9)1-4(7(11)12)13-6(5)10/h1,7H,2H2
InChIKeyVSGRMCOYLQTRDU-UHFFFAOYSA-N
XLogP4.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.92
LogP ≤ 54.17
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

2-[3-bromo-2-chloro-6-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130108171
2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol
CID 130072471
3-bromo-4-(chloromethyl)-6-(difluoromethyl)-2-methoxypyridine
CID 130068796
2-[2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 118999659
2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine
CID 119013891
2-chloro-4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine
CID 119024121
3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075614
2-bromo-6-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine
CID 119016714
4-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol
CID 130079502
4-(aminomethyl)-2-chloro-6-(difluoromethyl)pyridin-3-amine
CID 130102646
4-(aminomethyl)-2-chloro-6-(difluoromethyl)pyridin-3-ol
CID 130072411
[4-(chloromethyl)-6-(difluoromethyl)-2-fluoro-3-pyridinyl]methanol
CID 130082233

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine?
The IUPAC name of 3-bromo-2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine (CID 130108097) is 3-bromo-2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine.
What is the SMILES notation for 3-bromo-2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine?
The canonical SMILES for 3-bromo-2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine is FC(F)c1cc(CCl)c(Br)c(Cl)n1.
What is the InChIKey of 3-bromo-2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine?
The InChIKey is VSGRMCOYLQTRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrCl2F2N/c8-5-3(2-9)1-4(7(11)12)13-6(5)10/h1,7H,2H2.
What are the key properties of 3-bromo-2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine?
3-bromo-2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine has a molecular weight of 290.92 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine is sourced from PubChem (CID 130108097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).