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

C9H10BrF2NO — CID 130087840

IUPAC4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-methylpyridine
SMILESCOc1ncc(C(F)F)c(CBr)c1C
InChIInChI=1S/C9H10BrF2NO/c1-5-6(3-10)7(8(11)12)4-13-9(5)14-2/h4,8H,3H2,1-2H3
InChIKeyZSKWFSJTSGLYCY-UHFFFAOYSA-N
MW266.08 g/mol
LogP3.23
Rot. Bonds3

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

4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-methylpyridine (PubChem CID 130087840) has the molecular formula C9H10BrF2NO and a molecular weight of 266.08 g/mol. Its IUPAC name is 4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-methylpyridine.

Molecular Properties

Compound Name4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-methylpyridine
PubChem CID130087840
Molecular FormulaC9H10BrF2NO
Molecular Weight266.08 g/mol
Exact Mass264.99
IUPAC Name4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-methylpyridine
SMILESCOc1ncc(C(F)F)c(CBr)c1C
InChIInChI=1S/C9H10BrF2NO/c1-5-6(3-10)7(8(11)12)4-13-9(5)14-2/h4,8H,3H2,1-2H3
InChIKeyZSKWFSJTSGLYCY-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

[5-(difluoromethyl)-2-methoxy-3-methyl-4-pyridinyl]methanamine
CID 130087781
[5-(difluoromethyl)-2-methoxy-3-methyl-4-pyridinyl]methanol
CID 130087925
4-(bromomethyl)-5-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
CID 130077991
4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-(trifluoromethoxy)pyridine
CID 134675551
3-(bromomethyl)-4-(difluoromethyl)-5-fluoro-2-methoxypyridine
CID 130080624
3-(bromomethyl)-2-(difluoromethyl)-5-methoxy-4-methylpyridine
CID 130087813
4-(bromomethyl)-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde
CID 118807298
5-(difluoromethyl)-2-methoxy-4-methyl-3-(trifluoromethyl)pyridine
CID 133100579
2,3-dibromo-4-(bromomethyl)-5-(difluoromethyl)pyridine
CID 130098975
3,4-dichloro-5-(difluoromethyl)-2-methoxypyridine
CID 130099248
5-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130087871
methyl 2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carboxylate
CID 130090206

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-methylpyridine?
The IUPAC name of 4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-methylpyridine (CID 130087840) is 4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-methylpyridine.
What is the SMILES notation for 4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-methylpyridine?
The canonical SMILES for 4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-methylpyridine is COc1ncc(C(F)F)c(CBr)c1C.
What is the InChIKey of 4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-methylpyridine?
The InChIKey is ZSKWFSJTSGLYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2NO/c1-5-6(3-10)7(8(11)12)4-13-9(5)14-2/h4,8H,3H2,1-2H3.
What are the key properties of 4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-methylpyridine?
4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-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 4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-methylpyridine is sourced from PubChem (CID 130087840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).