6-(bromomethyl)-3-(difluoromethyl)-2-methoxy-4-methylpyridine

C9H10BrF2NO — CID 130087803

IUPAC6-(bromomethyl)-3-(difluoromethyl)-2-methoxy-4-methylpyridine
SMILESCOc1nc(CBr)cc(C)c1C(F)F
InChIInChI=1S/C9H10BrF2NO/c1-5-3-6(4-10)13-9(14-2)7(5)8(11)12/h3,8H,4H2,1-2H3
InChIKeyBTSPKKSWGFDOMH-UHFFFAOYSA-N
MW266.08 g/mol
LogP3.23
Rot. Bonds3

About 6-(bromomethyl)-3-(difluoromethyl)-2-methoxy-4-methylpyridine

6-(bromomethyl)-3-(difluoromethyl)-2-methoxy-4-methylpyridine (PubChem CID 130087803) has the molecular formula C9H10BrF2NO and a molecular weight of 266.08 g/mol. Its IUPAC name is 6-(bromomethyl)-3-(difluoromethyl)-2-methoxy-4-methylpyridine.

Molecular Properties

Compound Name6-(bromomethyl)-3-(difluoromethyl)-2-methoxy-4-methylpyridine
PubChem CID130087803
Molecular FormulaC9H10BrF2NO
Molecular Weight266.08 g/mol
Exact Mass264.99
IUPAC Name6-(bromomethyl)-3-(difluoromethyl)-2-methoxy-4-methylpyridine
SMILESCOc1nc(CBr)cc(C)c1C(F)F
InChIInChI=1S/C9H10BrF2NO/c1-5-3-6(4-10)13-9(14-2)7(5)8(11)12/h3,8H,4H2,1-2H3
InChIKeyBTSPKKSWGFDOMH-UHFFFAOYSA-N
XLogP3.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 53.23
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

4-(bromomethyl)-3-(difluoromethyl)-6-fluoro-2-methoxypyridine
CID 130080644
5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylic acid
CID 130087971
4-(bromomethyl)-3-(difluoromethyl)-6-iodo-2-methoxypyridine
CID 130085591
[5-(difluoromethyl)-4-fluoro-6-methoxy-2-pyridinyl]methanamine
CID 130080559
ethyl 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylate
CID 133100416
ethane;2-methoxy-4,6-dimethyl-3-propan-2-ylpyridine
CID 171625416
2-[4-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile
CID 118822105
2-[5-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133095106
2-(bromomethyl)-3-(difluoromethyl)-4-methoxy-6-methylpyridine
CID 130087789
[3-(difluoromethyl)-6-fluoro-2-methoxy-4-pyridinyl]methanol
CID 130080748
6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-methoxypyridine
CID 130080615
methyl 6-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 134676098

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-3-(difluoromethyl)-2-methoxy-4-methylpyridine?
The IUPAC name of 6-(bromomethyl)-3-(difluoromethyl)-2-methoxy-4-methylpyridine (CID 130087803) is 6-(bromomethyl)-3-(difluoromethyl)-2-methoxy-4-methylpyridine.
What is the SMILES notation for 6-(bromomethyl)-3-(difluoromethyl)-2-methoxy-4-methylpyridine?
The canonical SMILES for 6-(bromomethyl)-3-(difluoromethyl)-2-methoxy-4-methylpyridine is COc1nc(CBr)cc(C)c1C(F)F.
What is the InChIKey of 6-(bromomethyl)-3-(difluoromethyl)-2-methoxy-4-methylpyridine?
The InChIKey is BTSPKKSWGFDOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2NO/c1-5-3-6(4-10)13-9(14-2)7(5)8(11)12/h3,8H,4H2,1-2H3.
What are the key properties of 6-(bromomethyl)-3-(difluoromethyl)-2-methoxy-4-methylpyridine?
6-(bromomethyl)-3-(difluoromethyl)-2-methoxy-4-methylpyridine has a molecular weight of 266.08 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-3-(difluoromethyl)-2-methoxy-4-methylpyridine is sourced from PubChem (CID 130087803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).