3-(difluoromethyl)-2-fluoro-5-methoxypyridine-4-carbonyl chloride

C8H5ClF3NO2 — CID 133105178

IUPAC3-(difluoromethyl)-2-fluoro-5-methoxypyridine-4-carbonyl chloride
SMILESCOc1cnc(F)c(C(F)F)c1C(=O)Cl
InChIInChI=1S/C8H5ClF3NO2/c1-15-3-2-13-8(12)5(7(10)11)4(3)6(9)14/h2,7H,1H3
InChIKeyXKEYBZIVCWOOGU-UHFFFAOYSA-N
MW239.58 g/mol
LogP2.55
Rot. Bonds3

About 3-(difluoromethyl)-2-fluoro-5-methoxypyridine-4-carbonyl chloride

3-(difluoromethyl)-2-fluoro-5-methoxypyridine-4-carbonyl chloride (PubChem CID 133105178) has the molecular formula C8H5ClF3NO2 and a molecular weight of 239.58 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-fluoro-5-methoxypyridine-4-carbonyl chloride.

Molecular Properties

Compound Name3-(difluoromethyl)-2-fluoro-5-methoxypyridine-4-carbonyl chloride
PubChem CID133105178
Molecular FormulaC8H5ClF3NO2
Molecular Weight239.58 g/mol
Exact Mass239.00
IUPAC Name3-(difluoromethyl)-2-fluoro-5-methoxypyridine-4-carbonyl chloride
SMILESCOc1cnc(F)c(C(F)F)c1C(=O)Cl
InChIInChI=1S/C8H5ClF3NO2/c1-15-3-2-13-8(12)5(7(10)11)4(3)6(9)14/h2,7H,1H3
InChIKeyXKEYBZIVCWOOGU-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

5-(difluoromethyl)-2-fluoro-4-methoxypyridine-3-carbonyl chloride
CID 133105200
2-[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]acetic acid
CID 133105324
methyl 5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxylate
CID 134685177
4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbonyl chloride
CID 118806978
4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carbonyl chloride
CID 118845809
2-(difluoromethyl)-5-methoxy-4-methylpyridine-3-carbonyl chloride
CID 118832244
4-amino-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride
CID 118812031
5-amino-4-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride
CID 130104371
ethyl 2-[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]acetate
CID 133105260
[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]methanamine
CID 118841033
methyl 4-(difluoromethyl)-2,5-dimethoxypyridine-3-carboxylate
CID 134684678
3-(difluoromethyl)-4-methoxypyridine-2-carbonyl chloride
CID 130097501

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-fluoro-5-methoxypyridine-4-carbonyl chloride?
The IUPAC name of 3-(difluoromethyl)-2-fluoro-5-methoxypyridine-4-carbonyl chloride (CID 133105178) is 3-(difluoromethyl)-2-fluoro-5-methoxypyridine-4-carbonyl chloride.
What is the SMILES notation for 3-(difluoromethyl)-2-fluoro-5-methoxypyridine-4-carbonyl chloride?
The canonical SMILES for 3-(difluoromethyl)-2-fluoro-5-methoxypyridine-4-carbonyl chloride is COc1cnc(F)c(C(F)F)c1C(=O)Cl.
What is the InChIKey of 3-(difluoromethyl)-2-fluoro-5-methoxypyridine-4-carbonyl chloride?
The InChIKey is XKEYBZIVCWOOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO2/c1-15-3-2-13-8(12)5(7(10)11)4(3)6(9)14/h2,7H,1H3.
What are the key properties of 3-(difluoromethyl)-2-fluoro-5-methoxypyridine-4-carbonyl chloride?
3-(difluoromethyl)-2-fluoro-5-methoxypyridine-4-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 3-(difluoromethyl)-2-fluoro-5-methoxypyridine-4-carbonyl chloride is sourced from PubChem (CID 133105178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).