5-(difluoromethyl)-6-fluoro-3-hydroxypyridine-2-carbonyl chloride

C7H3ClF3NO2 — CID 130079740

IUPAC5-(difluoromethyl)-6-fluoro-3-hydroxypyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nc(F)c(C(F)F)cc1O
InChIInChI=1S/C7H3ClF3NO2/c8-5(14)4-3(13)1-2(6(9)10)7(11)12-4/h1,6,13H
InChIKeyJMXYRFUEUVULHS-UHFFFAOYSA-N
MW225.55 g/mol
LogP2.24
Rot. Bonds2

About 5-(difluoromethyl)-6-fluoro-3-hydroxypyridine-2-carbonyl chloride

5-(difluoromethyl)-6-fluoro-3-hydroxypyridine-2-carbonyl chloride (PubChem CID 130079740) has the molecular formula C7H3ClF3NO2 and a molecular weight of 225.55 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-fluoro-3-hydroxypyridine-2-carbonyl chloride.

Molecular Properties

Compound Name5-(difluoromethyl)-6-fluoro-3-hydroxypyridine-2-carbonyl chloride
PubChem CID130079740
Molecular FormulaC7H3ClF3NO2
Molecular Weight225.55 g/mol
Exact Mass224.98
IUPAC Name5-(difluoromethyl)-6-fluoro-3-hydroxypyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nc(F)c(C(F)F)cc1O
InChIInChI=1S/C7H3ClF3NO2/c8-5(14)4-3(13)1-2(6(9)10)7(11)12-4/h1,6,13H
InChIKeyJMXYRFUEUVULHS-UHFFFAOYSA-N
XLogP2.24
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.55
LogP ≤ 52.24
H-Bond Donors ≤ 51
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

6-(difluoromethyl)-5-fluoro-3-hydroxypyridine-2-carbonyl chloride
CID 118820960
5-bromo-3-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride
CID 130109884
2-amino-5-(difluoromethyl)-6-fluoropyridin-3-ol
CID 119007659
5-(difluoromethyl)-3,6-difluoropyridine-2-carboxamide
CID 119003203
5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride
CID 130080391
6-chloro-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 130072799
5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxamide
CID 130072214
4-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride
CID 118828941
6-amino-5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride
CID 130104341
4-(difluoromethyl)-6-fluoro-3-iodopyridine-2-carbonyl chloride
CID 130080396
2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonyl chloride
CID 118809674
6-cyano-3-(difluoromethyl)-5-fluoropyridine-2-carbonyl chloride
CID 134675135

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-fluoro-3-hydroxypyridine-2-carbonyl chloride?
The IUPAC name of 5-(difluoromethyl)-6-fluoro-3-hydroxypyridine-2-carbonyl chloride (CID 130079740) is 5-(difluoromethyl)-6-fluoro-3-hydroxypyridine-2-carbonyl chloride.
What is the SMILES notation for 5-(difluoromethyl)-6-fluoro-3-hydroxypyridine-2-carbonyl chloride?
The canonical SMILES for 5-(difluoromethyl)-6-fluoro-3-hydroxypyridine-2-carbonyl chloride is O=C(Cl)c1nc(F)c(C(F)F)cc1O.
What is the InChIKey of 5-(difluoromethyl)-6-fluoro-3-hydroxypyridine-2-carbonyl chloride?
The InChIKey is JMXYRFUEUVULHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3NO2/c8-5(14)4-3(13)1-2(6(9)10)7(11)12-4/h1,6,13H.
What are the key properties of 5-(difluoromethyl)-6-fluoro-3-hydroxypyridine-2-carbonyl chloride?
5-(difluoromethyl)-6-fluoro-3-hydroxypyridine-2-carbonyl chloride has a molecular weight of 225.55 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-6-fluoro-3-hydroxypyridine-2-carbonyl chloride is sourced from PubChem (CID 130079740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).