4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-iodopyridine

C7H4BrClF2IN — CID 130073150

IUPAC4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-iodopyridine
SMILESFC(F)c1nc(Cl)cc(CBr)c1I
InChIInChI=1S/C7H4BrClF2IN/c8-2-3-1-4(9)13-6(5(3)12)7(10)11/h1,7H,2H2
InChIKeyWVCIRSUWKIGJPC-UHFFFAOYSA-N
MW382.37 g/mol
LogP4.17
Rot. Bonds2

About 4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-iodopyridine

4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-iodopyridine (PubChem CID 130073150) has the molecular formula C7H4BrClF2IN and a molecular weight of 382.37 g/mol. Its IUPAC name is 4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-iodopyridine.

Molecular Properties

Compound Name4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-iodopyridine
PubChem CID130073150
Molecular FormulaC7H4BrClF2IN
Molecular Weight382.37 g/mol
Exact Mass380.82
IUPAC Name4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-iodopyridine
SMILESFC(F)c1nc(Cl)cc(CBr)c1I
InChIInChI=1S/C7H4BrClF2IN/c8-2-3-1-4(9)13-6(5(3)12)7(10)11/h1,7H,2H2
InChIKeyWVCIRSUWKIGJPC-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 ≤ 500382.37
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-iodopyridine
CID 130080031
3-(bromomethyl)-2-chloro-6-(difluoromethyl)-5-iodopyridine
CID 130073132
2-[4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075176
3-(bromomethyl)-6-chloro-2-(difluoromethyl)pyridine
CID 130095515
3,6-dichloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130099341
4-(aminomethyl)-6-chloro-2-(difluoromethyl)pyridin-3-amine
CID 130102649
6-chloro-2-(difluoromethyl)-3-iodopyridine-4-sulfonyl chloride
CID 130073549
4-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-methylpyridine
CID 130086025
3-(bromomethyl)-6-chloro-2-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075297
4-(bromomethyl)-6-chloro-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130071160
6-bromo-4-chloro-2-(difluoromethyl)-3-iodopyridine
CID 130107863
4-(bromomethyl)-6-(difluoromethyl)-3-iodopyridin-2-amine
CID 119010652

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-iodopyridine?
The IUPAC name of 4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-iodopyridine (CID 130073150) is 4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-iodopyridine.
What is the SMILES notation for 4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-iodopyridine?
The canonical SMILES for 4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-iodopyridine is FC(F)c1nc(Cl)cc(CBr)c1I.
What is the InChIKey of 4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-iodopyridine?
The InChIKey is WVCIRSUWKIGJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF2IN/c8-2-3-1-4(9)13-6(5(3)12)7(10)11/h1,7H,2H2.
What are the key properties of 4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-iodopyridine?
4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-iodopyridine has a molecular weight of 382.37 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 4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-iodopyridine is sourced from PubChem (CID 130073150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).