5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridine

C8H8ClF2NO — CID 130097396

IUPAC5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridine
SMILESCOc1cc(C(F)F)c(CCl)cn1
InChIInChI=1S/C8H8ClF2NO/c1-13-7-2-6(8(10)11)5(3-9)4-12-7/h2,4,8H,3H2,1H3
InChIKeySUMGDJOJPICIBX-UHFFFAOYSA-N
MW207.61 g/mol
LogP2.77
Rot. Bonds3

About 5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridine

5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridine (PubChem CID 130097396) has the molecular formula C8H8ClF2NO and a molecular weight of 207.61 g/mol. Its IUPAC name is 5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridine.

Molecular Properties

Compound Name5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridine
PubChem CID130097396
Molecular FormulaC8H8ClF2NO
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC Name5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridine
SMILESCOc1cc(C(F)F)c(CCl)cn1
InChIInChI=1S/C8H8ClF2NO/c1-13-7-2-6(8(10)11)5(3-9)4-12-7/h2,4,8H,3H2,1H3
InChIKeySUMGDJOJPICIBX-UHFFFAOYSA-N
XLogP2.77
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 52.77
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-[4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid
CID 118800669
2-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine
CID 119019335
4-chloro-5-(difluoromethyl)-2-methoxypyridine
CID 118822541
[5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130098363
5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130098388
3-(chloromethyl)-4-(difluoromethyl)-2,6-dimethoxypyridine
CID 130100952
4-(difluoromethyl)-6-methoxypyridine-3-carboxylic acid
CID 130097491
2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-methoxypyridine
CID 119017981
4-(chloromethyl)-5-(difluoromethyl)-2-fluoropyridine
CID 130096360
5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridin-3-ol
CID 130083299
3-bromo-4-(chloromethyl)-2-(difluoromethyl)-6-methoxypyridine
CID 130068793
5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-methoxypyridine
CID 130080683

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridine?
The IUPAC name of 5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridine (CID 130097396) is 5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridine.
What is the SMILES notation for 5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridine?
The canonical SMILES for 5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridine is COc1cc(C(F)F)c(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridine?
The InChIKey is SUMGDJOJPICIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO/c1-13-7-2-6(8(10)11)5(3-9)4-12-7/h2,4,8H,3H2,1H3.
What are the key properties of 5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridine?
5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridine has a molecular weight of 207.61 g/mol, XLogP of 2.77, 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-methoxypyridine is sourced from PubChem (CID 130097396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).