6-(difluoromethyl)-5-fluoro-4-methoxypyridine-3-carbonyl chloride

C8H5ClF3NO2 — CID 133105551

IUPAC6-(difluoromethyl)-5-fluoro-4-methoxypyridine-3-carbonyl chloride
SMILESCOc1c(C(=O)Cl)cnc(C(F)F)c1F
InChIInChI=1S/C8H5ClF3NO2/c1-15-6-3(7(9)14)2-13-5(4(6)10)8(11)12/h2,8H,1H3
InChIKeySMWBLSIEFCUINO-UHFFFAOYSA-N
MW239.58 g/mol
LogP2.55
Rot. Bonds3

About 6-(difluoromethyl)-5-fluoro-4-methoxypyridine-3-carbonyl chloride

6-(difluoromethyl)-5-fluoro-4-methoxypyridine-3-carbonyl chloride (PubChem CID 133105551) has the molecular formula C8H5ClF3NO2 and a molecular weight of 239.58 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-fluoro-4-methoxypyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-(difluoromethyl)-5-fluoro-4-methoxypyridine-3-carbonyl chloride
PubChem CID133105551
Molecular FormulaC8H5ClF3NO2
Molecular Weight239.58 g/mol
Exact Mass239.00
IUPAC Name6-(difluoromethyl)-5-fluoro-4-methoxypyridine-3-carbonyl chloride
SMILESCOc1c(C(=O)Cl)cnc(C(F)F)c1F
InChIInChI=1S/C8H5ClF3NO2/c1-15-6-3(7(9)14)2-13-5(4(6)10)8(11)12/h2,8H,1H3
InChIKeySMWBLSIEFCUINO-UHFFFAOYSA-N
XLogP2.55
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.58
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbonyl chloride
CID 118829154
2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride
CID 118854739
4-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbonyl chloride
CID 133101443
5-(difluoromethyl)-3-fluoro-4-methoxypyridine-2-carbonyl chloride
CID 133105414
6-(difluoromethyl)-5-iodo-4-methoxypyridine-3-carboxamide
CID 118854435
5-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride
CID 130069547
5-(difluoromethyl)-2-fluoro-4-methoxypyridine-3-carbonyl chloride
CID 133105200
5-(aminomethyl)-6-(difluoromethyl)-4-methoxypyridine-3-carboxylic acid
CID 133085041
2-(difluoromethyl)-4-fluoro-5-methylpyridine-3-carbonyl chloride
CID 118837882
methyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
CID 133105622
4-(difluoromethyl)-6-methoxy-5-methylpyridine-3-carbonyl chloride
CID 133099697
methyl 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 130104300

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-fluoro-4-methoxypyridine-3-carbonyl chloride?
The IUPAC name of 6-(difluoromethyl)-5-fluoro-4-methoxypyridine-3-carbonyl chloride (CID 133105551) is 6-(difluoromethyl)-5-fluoro-4-methoxypyridine-3-carbonyl chloride.
What is the SMILES notation for 6-(difluoromethyl)-5-fluoro-4-methoxypyridine-3-carbonyl chloride?
The canonical SMILES for 6-(difluoromethyl)-5-fluoro-4-methoxypyridine-3-carbonyl chloride is COc1c(C(=O)Cl)cnc(C(F)F)c1F.
What is the InChIKey of 6-(difluoromethyl)-5-fluoro-4-methoxypyridine-3-carbonyl chloride?
The InChIKey is SMWBLSIEFCUINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO2/c1-15-6-3(7(9)14)2-13-5(4(6)10)8(11)12/h2,8H,1H3.
What are the key properties of 6-(difluoromethyl)-5-fluoro-4-methoxypyridine-3-carbonyl chloride?
6-(difluoromethyl)-5-fluoro-4-methoxypyridine-3-carbonyl chloride has a molecular weight of 239.58 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-fluoro-4-methoxypyridine-3-carbonyl chloride is sourced from PubChem (CID 133105551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).