2-(bromomethyl)-3-(difluoromethyl)-5-methoxy-4-methylpyridine

C9H10BrF2NO — CID 130087790

IUPAC2-(bromomethyl)-3-(difluoromethyl)-5-methoxy-4-methylpyridine
SMILESCOc1cnc(CBr)c(C(F)F)c1C
InChIInChI=1S/C9H10BrF2NO/c1-5-7(14-2)4-13-6(3-10)8(5)9(11)12/h4,9H,3H2,1-2H3
InChIKeyBZSLQKCOPZVOOB-UHFFFAOYSA-N
MW266.08 g/mol
LogP3.23
Rot. Bonds3

About 2-(bromomethyl)-3-(difluoromethyl)-5-methoxy-4-methylpyridine

2-(bromomethyl)-3-(difluoromethyl)-5-methoxy-4-methylpyridine (PubChem CID 130087790) has the molecular formula C9H10BrF2NO and a molecular weight of 266.08 g/mol. Its IUPAC name is 2-(bromomethyl)-3-(difluoromethyl)-5-methoxy-4-methylpyridine.

Molecular Properties

Compound Name2-(bromomethyl)-3-(difluoromethyl)-5-methoxy-4-methylpyridine
PubChem CID130087790
Molecular FormulaC9H10BrF2NO
Molecular Weight266.08 g/mol
Exact Mass264.99
IUPAC Name2-(bromomethyl)-3-(difluoromethyl)-5-methoxy-4-methylpyridine
SMILESCOc1cnc(CBr)c(C(F)F)c1C
InChIInChI=1S/C9H10BrF2NO/c1-5-7(14-2)4-13-6(3-10)8(5)9(11)12/h4,9H,3H2,1-2H3
InChIKeyBZSLQKCOPZVOOB-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

3-(bromomethyl)-2-(difluoromethyl)-5-methoxy-4-methylpyridine
CID 130087813
2-[3-(bromomethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 130091195
2-(bromomethyl)-3-(difluoromethyl)-4-methoxy-6-methylpyridine
CID 130087789
4-(bromomethyl)-3-(difluoromethyl)-2-iodo-5-methoxypyridine
CID 130085587
6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-3-ol
CID 130083686
2-(bromomethyl)-4-(difluoromethyl)-5-iodo-3-methoxypyridine
CID 118821401
2,3-dibromo-4-(difluoromethyl)-5-methoxypyridine
CID 118992622
4-(difluoromethyl)-2-(hydroxymethyl)-5-methoxypyridin-3-ol
CID 118835243
[3-(difluoromethyl)-4-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118853765
2-(bromomethyl)-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 130113320
[4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol
CID 130085739
2-(chloromethyl)-4-(difluoromethyl)-3,5-dimethoxypyridine
CID 118854941

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-(difluoromethyl)-5-methoxy-4-methylpyridine?
The IUPAC name of 2-(bromomethyl)-3-(difluoromethyl)-5-methoxy-4-methylpyridine (CID 130087790) is 2-(bromomethyl)-3-(difluoromethyl)-5-methoxy-4-methylpyridine.
What is the SMILES notation for 2-(bromomethyl)-3-(difluoromethyl)-5-methoxy-4-methylpyridine?
The canonical SMILES for 2-(bromomethyl)-3-(difluoromethyl)-5-methoxy-4-methylpyridine is COc1cnc(CBr)c(C(F)F)c1C.
What is the InChIKey of 2-(bromomethyl)-3-(difluoromethyl)-5-methoxy-4-methylpyridine?
The InChIKey is BZSLQKCOPZVOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2NO/c1-5-7(14-2)4-13-6(3-10)8(5)9(11)12/h4,9H,3H2,1-2H3.
What are the key properties of 2-(bromomethyl)-3-(difluoromethyl)-5-methoxy-4-methylpyridine?
2-(bromomethyl)-3-(difluoromethyl)-5-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 2-(bromomethyl)-3-(difluoromethyl)-5-methoxy-4-methylpyridine is sourced from PubChem (CID 130087790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).