5-(difluoromethyl)-4-formyl-3-hydroxypyridine-2-carbonitrile

C8H4F2N2O2 — CID 130076826

IUPAC5-(difluoromethyl)-4-formyl-3-hydroxypyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)F)c(C=O)c1O
InChIInChI=1S/C8H4F2N2O2/c9-8(10)4-2-12-6(1-11)7(14)5(4)3-13/h2-3,8,14H
InChIKeyNKZUTZLOLGDOGY-UHFFFAOYSA-N
MW198.13 g/mol
LogP1.41
Rot. Bonds2

About 5-(difluoromethyl)-4-formyl-3-hydroxypyridine-2-carbonitrile

5-(difluoromethyl)-4-formyl-3-hydroxypyridine-2-carbonitrile (PubChem CID 130076826) has the molecular formula C8H4F2N2O2 and a molecular weight of 198.13 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-formyl-3-hydroxypyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-4-formyl-3-hydroxypyridine-2-carbonitrile
PubChem CID130076826
Molecular FormulaC8H4F2N2O2
Molecular Weight198.13 g/mol
Exact Mass198.02
IUPAC Name5-(difluoromethyl)-4-formyl-3-hydroxypyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)F)c(C=O)c1O
InChIInChI=1S/C8H4F2N2O2/c9-8(10)4-2-12-6(1-11)7(14)5(4)3-13/h2-3,8,14H
InChIKeyNKZUTZLOLGDOGY-UHFFFAOYSA-N
XLogP1.41
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.13
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethyl)-3-formyl-5-hydroxypyridine-2-carbonitrile
CID 130076823
5-(difluoromethyl)-3-hydroxy-2-(trifluoromethyl)pyridine-4-carbaldehyde
CID 130085432
4-(difluoromethyl)-5-fluoro-3-formylpyridine-2-carbonitrile
CID 130076214
2-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde
CID 118826812
5-chloro-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 130070958
2-(difluoromethyl)-4-formyl-5-hydroxypyridine-3-carbonitrile
CID 130076837
4-(difluoromethyl)-3-formyl-6-methylpyridine-2-carbonitrile
CID 119002592
5-(difluoromethyl)-3,4-diiodopyridine-2-carbonitrile
CID 118991428
3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130109174
4-(difluoromethyl)-6-formyl-5-hydroxypyridine-3-carbonitrile
CID 130076844
4-amino-3-(difluoromethyl)-5-formylpyridine-2-carbonitrile
CID 118816856
4-(difluoromethyl)-5-formyl-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 119012294

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-formyl-3-hydroxypyridine-2-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-4-formyl-3-hydroxypyridine-2-carbonitrile (CID 130076826) is 5-(difluoromethyl)-4-formyl-3-hydroxypyridine-2-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-4-formyl-3-hydroxypyridine-2-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-4-formyl-3-hydroxypyridine-2-carbonitrile is N#Cc1ncc(C(F)F)c(C=O)c1O.
What is the InChIKey of 5-(difluoromethyl)-4-formyl-3-hydroxypyridine-2-carbonitrile?
The InChIKey is NKZUTZLOLGDOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2O2/c9-8(10)4-2-12-6(1-11)7(14)5(4)3-13/h2-3,8,14H.
What are the key properties of 5-(difluoromethyl)-4-formyl-3-hydroxypyridine-2-carbonitrile?
5-(difluoromethyl)-4-formyl-3-hydroxypyridine-2-carbonitrile has a molecular weight of 198.13 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-formyl-3-hydroxypyridine-2-carbonitrile is sourced from PubChem (CID 130076826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).