5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-methoxypyridine

C8H7ClF3NO — CID 130080683

IUPAC5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-methoxypyridine
SMILESCOc1c(F)ncc(CCl)c1C(F)F
InChIInChI=1S/C8H7ClF3NO/c1-14-6-5(7(10)11)4(2-9)3-13-8(6)12/h3,7H,2H2,1H3
InChIKeyOIRMSFUIQZWGEJ-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.91
Rot. Bonds3

About 5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-methoxypyridine

5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-methoxypyridine (PubChem CID 130080683) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is 5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-methoxypyridine.

Molecular Properties

Compound Name5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-methoxypyridine
PubChem CID130080683
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-methoxypyridine
SMILESCOc1c(F)ncc(CCl)c1C(F)F
InChIInChI=1S/C8H7ClF3NO/c1-14-6-5(7(10)11)4(2-9)3-13-8(6)12/h3,7H,2H2,1H3
InChIKeyOIRMSFUIQZWGEJ-UHFFFAOYSA-N
XLogP2.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-(difluoromethyl)-2-fluoro-3-methoxypyridine
CID 130109359
5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridin-3-ol
CID 130083299
5-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130087871
4-chloro-5-(chloromethyl)-3-(difluoromethyl)-2-fluoropyridine
CID 130071815
2-[5-(difluoromethyl)-6-fluoro-4-methoxy-3-pyridinyl]acetic acid
CID 133105323
5-(chloromethyl)-3-(difluoromethyl)-4-methoxy-2-nitropyridine
CID 130088105
4-bromo-5-(chloromethyl)-3-(difluoromethyl)-2-methoxypyridine
CID 118799277
2-[5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid
CID 130082416
2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine
CID 119019587
2-(chloromethyl)-4-(difluoromethyl)-3,5-dimethoxypyridine
CID 118854941
[6-chloro-5-(difluoromethyl)-4-methoxy-3-pyridinyl]methanamine
CID 130073732
2-[5-(chloromethyl)-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetonitrile
CID 130091416

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-methoxypyridine?
The IUPAC name of 5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-methoxypyridine (CID 130080683) is 5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-methoxypyridine.
What is the SMILES notation for 5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-methoxypyridine?
The canonical SMILES for 5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-methoxypyridine is COc1c(F)ncc(CCl)c1C(F)F.
What is the InChIKey of 5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-methoxypyridine?
The InChIKey is OIRMSFUIQZWGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c1-14-6-5(7(10)11)4(2-9)3-13-8(6)12/h3,7H,2H2,1H3.
What are the key properties of 5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-methoxypyridine?
5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-methoxypyridine has a molecular weight of 225.60 g/mol, XLogP of 2.91, 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-fluoro-3-methoxypyridine is sourced from PubChem (CID 130080683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).