4-(bromomethyl)-2-chloro-3-(difluoromethyl)-5-iodopyridine

C7H4BrClF2IN — CID 130073145

IUPAC4-(bromomethyl)-2-chloro-3-(difluoromethyl)-5-iodopyridine
SMILESFC(F)c1c(Cl)ncc(I)c1CBr
InChIInChI=1S/C7H4BrClF2IN/c8-1-3-4(12)2-13-6(9)5(3)7(10)11/h2,7H,1H2
InChIKeyURMKVNNICHQTOC-UHFFFAOYSA-N
MW382.37 g/mol
LogP4.17
Rot. Bonds2

About 4-(bromomethyl)-2-chloro-3-(difluoromethyl)-5-iodopyridine

4-(bromomethyl)-2-chloro-3-(difluoromethyl)-5-iodopyridine (PubChem CID 130073145) has the molecular formula C7H4BrClF2IN and a molecular weight of 382.37 g/mol. Its IUPAC name is 4-(bromomethyl)-2-chloro-3-(difluoromethyl)-5-iodopyridine.

Molecular Properties

Compound Name4-(bromomethyl)-2-chloro-3-(difluoromethyl)-5-iodopyridine
PubChem CID130073145
Molecular FormulaC7H4BrClF2IN
Molecular Weight382.37 g/mol
Exact Mass380.82
IUPAC Name4-(bromomethyl)-2-chloro-3-(difluoromethyl)-5-iodopyridine
SMILESFC(F)c1c(Cl)ncc(I)c1CBr
InChIInChI=1S/C7H4BrClF2IN/c8-1-3-4(12)2-13-6(9)5(3)7(10)11/h2,7H,1H2
InChIKeyURMKVNNICHQTOC-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)-3-(difluoromethyl)-5-iodopyridine-2-carbaldehyde
CID 130087191
2-chloro-3-(chloromethyl)-4-(difluoromethyl)-5-iodopyridine
CID 119014483
2-[4-(bromomethyl)-6-chloro-5-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075171
3-bromo-2-chloro-4-(difluoromethyl)-5-iodopyridine
CID 130107872
4-bromo-5-(bromomethyl)-2-chloro-3-(difluoromethyl)pyridine
CID 118850008
4-(bromomethyl)-2-(difluoromethyl)-5-iodopyridin-3-amine
CID 130105305
2-[2-(bromomethyl)-3-(difluoromethyl)-5-iodo-4-pyridinyl]acetonitrile
CID 130087046
2-(bromomethyl)-4-(difluoromethyl)-5-iodo-3-methoxypyridine
CID 118821401
2-(bromomethyl)-3-(difluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine
CID 134668841
3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075264
4-(bromomethyl)-3-(difluoromethyl)-2-iodo-5-methoxypyridine
CID 130085587
3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid
CID 130075315

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-chloro-3-(difluoromethyl)-5-iodopyridine?
The IUPAC name of 4-(bromomethyl)-2-chloro-3-(difluoromethyl)-5-iodopyridine (CID 130073145) is 4-(bromomethyl)-2-chloro-3-(difluoromethyl)-5-iodopyridine.
What is the SMILES notation for 4-(bromomethyl)-2-chloro-3-(difluoromethyl)-5-iodopyridine?
The canonical SMILES for 4-(bromomethyl)-2-chloro-3-(difluoromethyl)-5-iodopyridine is FC(F)c1c(Cl)ncc(I)c1CBr.
What is the InChIKey of 4-(bromomethyl)-2-chloro-3-(difluoromethyl)-5-iodopyridine?
The InChIKey is URMKVNNICHQTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF2IN/c8-1-3-4(12)2-13-6(9)5(3)7(10)11/h2,7H,1H2.
What are the key properties of 4-(bromomethyl)-2-chloro-3-(difluoromethyl)-5-iodopyridine?
4-(bromomethyl)-2-chloro-3-(difluoromethyl)-5-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)-2-chloro-3-(difluoromethyl)-5-iodopyridine is sourced from PubChem (CID 130073145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).