5-(bromomethyl)-3-chloro-2-(difluoromethyl)-6-methoxypyridine

C8H7BrClF2NO — CID 130073770

IUPAC5-(bromomethyl)-3-chloro-2-(difluoromethyl)-6-methoxypyridine
SMILESCOc1nc(C(F)F)c(Cl)cc1CBr
InChIInChI=1S/C8H7BrClF2NO/c1-14-8-4(3-9)2-5(10)6(13-8)7(11)12/h2,7H,3H2,1H3
InChIKeyFMIGWAMJUJOIAT-UHFFFAOYSA-N
MW286.50 g/mol
LogP3.58
Rot. Bonds3

About 5-(bromomethyl)-3-chloro-2-(difluoromethyl)-6-methoxypyridine

5-(bromomethyl)-3-chloro-2-(difluoromethyl)-6-methoxypyridine (PubChem CID 130073770) has the molecular formula C8H7BrClF2NO and a molecular weight of 286.50 g/mol. Its IUPAC name is 5-(bromomethyl)-3-chloro-2-(difluoromethyl)-6-methoxypyridine.

Molecular Properties

Compound Name5-(bromomethyl)-3-chloro-2-(difluoromethyl)-6-methoxypyridine
PubChem CID130073770
Molecular FormulaC8H7BrClF2NO
Molecular Weight286.50 g/mol
Exact Mass284.94
IUPAC Name5-(bromomethyl)-3-chloro-2-(difluoromethyl)-6-methoxypyridine
SMILESCOc1nc(C(F)F)c(Cl)cc1CBr
InChIInChI=1S/C8H7BrClF2NO/c1-14-8-4(3-9)2-5(10)6(13-8)7(11)12/h2,7H,3H2,1H3
InChIKeyFMIGWAMJUJOIAT-UHFFFAOYSA-N
XLogP3.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-methoxypyridine
CID 130068755
5-chloro-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
CID 130071015
2-bromo-3-(bromomethyl)-5-(difluoromethyl)-6-methoxypyridine
CID 119011795
2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-methylpyridine
CID 130074149
3-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130075329
6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methoxypyridine
CID 130073747
2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-fluoropyridine
CID 130071737
4-(bromomethyl)-3-(difluoromethyl)-6-fluoro-2-methoxypyridine
CID 130080644
methyl 2-[5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134671507
4-(bromomethyl)-3-(difluoromethyl)-6-iodo-2-methoxypyridine
CID 130085591
5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol
CID 134666693
methyl 5-chloro-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134674426

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3-chloro-2-(difluoromethyl)-6-methoxypyridine?
The IUPAC name of 5-(bromomethyl)-3-chloro-2-(difluoromethyl)-6-methoxypyridine (CID 130073770) is 5-(bromomethyl)-3-chloro-2-(difluoromethyl)-6-methoxypyridine.
What is the SMILES notation for 5-(bromomethyl)-3-chloro-2-(difluoromethyl)-6-methoxypyridine?
The canonical SMILES for 5-(bromomethyl)-3-chloro-2-(difluoromethyl)-6-methoxypyridine is COc1nc(C(F)F)c(Cl)cc1CBr.
What is the InChIKey of 5-(bromomethyl)-3-chloro-2-(difluoromethyl)-6-methoxypyridine?
The InChIKey is FMIGWAMJUJOIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF2NO/c1-14-8-4(3-9)2-5(10)6(13-8)7(11)12/h2,7H,3H2,1H3.
What are the key properties of 5-(bromomethyl)-3-chloro-2-(difluoromethyl)-6-methoxypyridine?
5-(bromomethyl)-3-chloro-2-(difluoromethyl)-6-methoxypyridine has a molecular weight of 286.50 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3-chloro-2-(difluoromethyl)-6-methoxypyridine is sourced from PubChem (CID 130073770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).