3-bromo-4-(chloromethyl)-2-(difluoromethyl)-6-methoxypyridine

C8H7BrClF2NO — CID 130068793

IUPAC3-bromo-4-(chloromethyl)-2-(difluoromethyl)-6-methoxypyridine
SMILESCOc1cc(CCl)c(Br)c(C(F)F)n1
InChIInChI=1S/C8H7BrClF2NO/c1-14-5-2-4(3-10)6(9)7(13-5)8(11)12/h2,8H,3H2,1H3
InChIKeyNUFBBQBAANDLML-UHFFFAOYSA-N
MW286.50 g/mol
LogP3.53
Rot. Bonds3

About 3-bromo-4-(chloromethyl)-2-(difluoromethyl)-6-methoxypyridine

3-bromo-4-(chloromethyl)-2-(difluoromethyl)-6-methoxypyridine (PubChem CID 130068793) has the molecular formula C8H7BrClF2NO and a molecular weight of 286.50 g/mol. Its IUPAC name is 3-bromo-4-(chloromethyl)-2-(difluoromethyl)-6-methoxypyridine.

Molecular Properties

Compound Name3-bromo-4-(chloromethyl)-2-(difluoromethyl)-6-methoxypyridine
PubChem CID130068793
Molecular FormulaC8H7BrClF2NO
Molecular Weight286.50 g/mol
Exact Mass284.94
IUPAC Name3-bromo-4-(chloromethyl)-2-(difluoromethyl)-6-methoxypyridine
SMILESCOc1cc(CCl)c(Br)c(C(F)F)n1
InChIInChI=1S/C8H7BrClF2NO/c1-14-5-2-4(3-10)6(9)7(13-5)8(11)12/h2,8H,3H2,1H3
InChIKeyNUFBBQBAANDLML-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
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

3-bromo-4-(chloromethyl)-6-(difluoromethyl)-2-methoxypyridine
CID 130068796
ethyl 5-bromo-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
CID 134674811
ethyl 2-[5-bromo-4-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134686113
4-chloro-2-(difluoromethyl)-3,6-dimethoxypyridine
CID 118811368
2-[3-amino-2-(difluoromethyl)-6-methoxy-4-pyridinyl]acetic acid
CID 134676666
5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridine
CID 130097396
4-bromo-2-(difluoromethyl)-6-methoxy-3-nitropyridine
CID 118834452
4-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-3-carbonitrile
CID 118851689
3-(chloromethyl)-4-(difluoromethyl)-2,6-dimethoxypyridine
CID 130100952
[2-(difluoromethyl)-6-methoxy-4-methyl-3-pyridinyl]methanol
CID 118820631
2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-methoxypyridine
CID 119017981
3-bromo-2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine
CID 130108097

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(chloromethyl)-2-(difluoromethyl)-6-methoxypyridine?
The IUPAC name of 3-bromo-4-(chloromethyl)-2-(difluoromethyl)-6-methoxypyridine (CID 130068793) is 3-bromo-4-(chloromethyl)-2-(difluoromethyl)-6-methoxypyridine.
What is the SMILES notation for 3-bromo-4-(chloromethyl)-2-(difluoromethyl)-6-methoxypyridine?
The canonical SMILES for 3-bromo-4-(chloromethyl)-2-(difluoromethyl)-6-methoxypyridine is COc1cc(CCl)c(Br)c(C(F)F)n1.
What is the InChIKey of 3-bromo-4-(chloromethyl)-2-(difluoromethyl)-6-methoxypyridine?
The InChIKey is NUFBBQBAANDLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF2NO/c1-14-5-2-4(3-10)6(9)7(13-5)8(11)12/h2,8H,3H2,1H3.
What are the key properties of 3-bromo-4-(chloromethyl)-2-(difluoromethyl)-6-methoxypyridine?
3-bromo-4-(chloromethyl)-2-(difluoromethyl)-6-methoxypyridine has a molecular weight of 286.50 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(chloromethyl)-2-(difluoromethyl)-6-methoxypyridine is sourced from PubChem (CID 130068793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).