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

C9H10ClF2NO — CID 130087871

IUPAC5-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine
SMILESCOc1ncc(CCl)c(C(F)F)c1C
InChIInChI=1S/C9H10ClF2NO/c1-5-7(8(11)12)6(3-10)4-13-9(5)14-2/h4,8H,3H2,1-2H3
InChIKeyXIZRBLDJNXDFNH-UHFFFAOYSA-N
MW221.63 g/mol
LogP3.08
Rot. Bonds3

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

5-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine (PubChem CID 130087871) has the molecular formula C9H10ClF2NO and a molecular weight of 221.63 g/mol. Its IUPAC name is 5-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine.

Molecular Properties

Compound Name5-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine
PubChem CID130087871
Molecular FormulaC9H10ClF2NO
Molecular Weight221.63 g/mol
Exact Mass221.04
IUPAC Name5-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine
SMILESCOc1ncc(CCl)c(C(F)F)c1C
InChIInChI=1S/C9H10ClF2NO/c1-5-7(8(11)12)6(3-10)4-13-9(5)14-2/h4,8H,3H2,1-2H3
InChIKeyXIZRBLDJNXDFNH-UHFFFAOYSA-N
XLogP3.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.63
LogP ≤ 53.08
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-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridin-3-ol
CID 130083299
4-bromo-5-(chloromethyl)-3-(difluoromethyl)-2-methoxypyridine
CID 118799277
5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-methoxypyridine
CID 130080683
4-(difluoromethyl)-2-methoxy-3-methyl-5-(trifluoromethyl)pyridine
CID 118835037
4-(difluoromethyl)-6-methoxy-5-methylpyridine-3-carbonyl chloride
CID 133099697
3-chloro-4-(difluoromethyl)-2-methoxy-5-methylpyridine
CID 130073666
4-(chloromethyl)-3-(difluoromethyl)-2,5-dimethoxypyridine
CID 130100950
[4-chloro-5-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine
CID 130073716
[5-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine
CID 130068718
5-(bromomethyl)-4-(difluoromethyl)-2-methoxypyridin-3-amine
CID 130105934
methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134663537
3,5-dichloro-4-(difluoromethyl)-2-methoxypyridine
CID 130099252

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine?
The IUPAC name of 5-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine (CID 130087871) is 5-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine.
What is the SMILES notation for 5-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine?
The canonical SMILES for 5-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine is COc1ncc(CCl)c(C(F)F)c1C.
What is the InChIKey of 5-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine?
The InChIKey is XIZRBLDJNXDFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO/c1-5-7(8(11)12)6(3-10)4-13-9(5)14-2/h4,8H,3H2,1-2H3.
What are the key properties of 5-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine?
5-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine has a molecular weight of 221.63 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine is sourced from PubChem (CID 130087871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).