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

C8H3ClF2N2O2 — CID 134674654

IUPAC6-cyano-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride
SMILESN#Cc1nc(C(F)F)c(C(=O)Cl)cc1O
InChIInChI=1S/C8H3ClF2N2O2/c9-7(15)3-1-5(14)4(2-12)13-6(3)8(10)11/h1,8,14H
InChIKeyDKEXKMCMGNPQIZ-UHFFFAOYSA-N
MW232.57 g/mol
LogP1.98
Rot. Bonds2

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

6-cyano-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride (PubChem CID 134674654) has the molecular formula C8H3ClF2N2O2 and a molecular weight of 232.57 g/mol. Its IUPAC name is 6-cyano-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-cyano-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride
PubChem CID134674654
Molecular FormulaC8H3ClF2N2O2
Molecular Weight232.57 g/mol
Exact Mass231.99
IUPAC Name6-cyano-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride
SMILESN#Cc1nc(C(F)F)c(C(=O)Cl)cc1O
InChIInChI=1S/C8H3ClF2N2O2/c9-7(15)3-1-5(14)4(2-12)13-6(3)8(10)11/h1,8,14H
InChIKeyDKEXKMCMGNPQIZ-UHFFFAOYSA-N
XLogP1.98
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.57
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-cyano-2-(difluoromethyl)-5-iodopyridine-3-carbonyl chloride
CID 134686290
5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carbonyl chloride
CID 134667505
2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonyl chloride
CID 118809674
2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride
CID 134685966
3-chloro-6-cyano-2-(difluoromethyl)pyridine-4-carbonyl chloride
CID 134674147
2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carbonyl chloride
CID 118843487
5-bromo-6-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 130109029
6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carbonyl chloride
CID 134662971
6-cyano-5-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride
CID 133107462
2-[6-cyano-3-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 130076972
6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130103005
5-bromo-6-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130108415

Frequently Asked Questions

What is the IUPAC name of 6-cyano-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride?
The IUPAC name of 6-cyano-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride (CID 134674654) is 6-cyano-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride.
What is the SMILES notation for 6-cyano-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride?
The canonical SMILES for 6-cyano-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride is N#Cc1nc(C(F)F)c(C(=O)Cl)cc1O.
What is the InChIKey of 6-cyano-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride?
The InChIKey is DKEXKMCMGNPQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF2N2O2/c9-7(15)3-1-5(14)4(2-12)13-6(3)8(10)11/h1,8,14H.
What are the key properties of 6-cyano-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride?
6-cyano-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride has a molecular weight of 232.57 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride is sourced from PubChem (CID 134674654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).