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

C9H10BrF2NO — CID 130087789

IUPAC2-(bromomethyl)-3-(difluoromethyl)-4-methoxy-6-methylpyridine
SMILESCOc1cc(C)nc(CBr)c1C(F)F
InChIInChI=1S/C9H10BrF2NO/c1-5-3-7(14-2)8(9(11)12)6(4-10)13-5/h3,9H,4H2,1-2H3
InChIKeyRYSMSFFBTSDQSO-UHFFFAOYSA-N
MW266.08 g/mol
LogP3.23
Rot. Bonds3

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

2-(bromomethyl)-3-(difluoromethyl)-4-methoxy-6-methylpyridine (PubChem CID 130087789) has the molecular formula C9H10BrF2NO and a molecular weight of 266.08 g/mol. Its IUPAC name is 2-(bromomethyl)-3-(difluoromethyl)-4-methoxy-6-methylpyridine.

Molecular Properties

Compound Name2-(bromomethyl)-3-(difluoromethyl)-4-methoxy-6-methylpyridine
PubChem CID130087789
Molecular FormulaC9H10BrF2NO
Molecular Weight266.08 g/mol
Exact Mass264.99
IUPAC Name2-(bromomethyl)-3-(difluoromethyl)-4-methoxy-6-methylpyridine
SMILESCOc1cc(C)nc(CBr)c1C(F)F
InChIInChI=1S/C9H10BrF2NO/c1-5-3-7(14-2)8(9(11)12)6(4-10)13-5/h3,9H,4H2,1-2H3
InChIKeyRYSMSFFBTSDQSO-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

2-(bromomethyl)-3-(difluoromethyl)-5-methoxy-4-methylpyridine
CID 130087790
6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-methylpyridine
CID 130069181
2-(bromomethyl)-6-(difluoromethyl)-4-methoxy-3-(trifluoromethyl)pyridine
CID 118843944
3-bromo-2-(bromomethyl)-6-(difluoromethyl)-5-methoxypyridine
CID 130068744
2-(difluoromethyl)-4-methoxy-3,6-dimethylpyridine
CID 130101198
2-[6-bromo-3-(difluoromethyl)-4-methoxy-2-pyridinyl]acetic acid
CID 134671684
5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-2-carbonitrile
CID 130078046
2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134670039
6-(bromomethyl)-3-(difluoromethyl)-2-methoxy-4-methylpyridine
CID 130087803
4-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine
CID 130068761
4-(bromomethyl)-3-(difluoromethyl)-6-fluoro-2-methoxypyridine
CID 130080644
2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridin-4-amine
CID 130105942

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-(difluoromethyl)-4-methoxy-6-methylpyridine?
The IUPAC name of 2-(bromomethyl)-3-(difluoromethyl)-4-methoxy-6-methylpyridine (CID 130087789) is 2-(bromomethyl)-3-(difluoromethyl)-4-methoxy-6-methylpyridine.
What is the SMILES notation for 2-(bromomethyl)-3-(difluoromethyl)-4-methoxy-6-methylpyridine?
The canonical SMILES for 2-(bromomethyl)-3-(difluoromethyl)-4-methoxy-6-methylpyridine is COc1cc(C)nc(CBr)c1C(F)F.
What is the InChIKey of 2-(bromomethyl)-3-(difluoromethyl)-4-methoxy-6-methylpyridine?
The InChIKey is RYSMSFFBTSDQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2NO/c1-5-3-7(14-2)8(9(11)12)6(4-10)13-5/h3,9H,4H2,1-2H3.
What are the key properties of 2-(bromomethyl)-3-(difluoromethyl)-4-methoxy-6-methylpyridine?
2-(bromomethyl)-3-(difluoromethyl)-4-methoxy-6-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)-4-methoxy-6-methylpyridine is sourced from PubChem (CID 130087789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).