4-(difluoromethyl)-6-formyl-5-hydroxypyridine-3-carbonitrile

C8H4F2N2O2 — CID 130076844

IUPAC4-(difluoromethyl)-6-formyl-5-hydroxypyridine-3-carbonitrile
SMILESN#Cc1cnc(C=O)c(O)c1C(F)F
InChIInChI=1S/C8H4F2N2O2/c9-8(10)6-4(1-11)2-12-5(3-13)7(6)14/h2-3,8,14H
InChIKeyWWSZRRAYMUWRBW-UHFFFAOYSA-N
MW198.13 g/mol
LogP1.41
Rot. Bonds2

About 4-(difluoromethyl)-6-formyl-5-hydroxypyridine-3-carbonitrile

4-(difluoromethyl)-6-formyl-5-hydroxypyridine-3-carbonitrile (PubChem CID 130076844) has the molecular formula C8H4F2N2O2 and a molecular weight of 198.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-formyl-5-hydroxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-6-formyl-5-hydroxypyridine-3-carbonitrile
PubChem CID130076844
Molecular FormulaC8H4F2N2O2
Molecular Weight198.13 g/mol
Exact Mass198.02
IUPAC Name4-(difluoromethyl)-6-formyl-5-hydroxypyridine-3-carbonitrile
SMILESN#Cc1cnc(C=O)c(O)c1C(F)F
InChIInChI=1S/C8H4F2N2O2/c9-8(10)6-4(1-11)2-12-5(3-13)7(6)14/h2-3,8,14H
InChIKeyWWSZRRAYMUWRBW-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

5-amino-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile
CID 130103617
5-(bromomethyl)-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile
CID 130078966
5-(difluoromethyl)-6-fluoro-4-formylpyridine-3-carbonitrile
CID 130076244
5-bromo-3-(difluoromethyl)-2-formylpyridine-4-carbonitrile
CID 130108998
3-(difluoromethyl)-4-fluoro-5-hydroxypyridine-2-carbaldehyde
CID 130079623
3-(difluoromethyl)-2-formyl-5-(trifluoromethyl)pyridine-4-carbonitrile
CID 118822043
4-(difluoromethyl)-3-formyl-5-hydroxypyridine-2-carbonitrile
CID 130076823
5-(difluoromethyl)-3-hydroxy-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130085430
5-(difluoromethyl)-4-formyl-3-hydroxypyridine-2-carbonitrile
CID 130076826
3-bromo-5-(difluoromethyl)-2-formylpyridine-4-carbonitrile
CID 130108997
4-(aminomethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde
CID 118812276
5-bromo-4-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
CID 130108971

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-formyl-5-hydroxypyridine-3-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-6-formyl-5-hydroxypyridine-3-carbonitrile (CID 130076844) is 4-(difluoromethyl)-6-formyl-5-hydroxypyridine-3-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-6-formyl-5-hydroxypyridine-3-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-6-formyl-5-hydroxypyridine-3-carbonitrile is N#Cc1cnc(C=O)c(O)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-6-formyl-5-hydroxypyridine-3-carbonitrile?
The InChIKey is WWSZRRAYMUWRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2O2/c9-8(10)6-4(1-11)2-12-5(3-13)7(6)14/h2-3,8,14H.
What are the key properties of 4-(difluoromethyl)-6-formyl-5-hydroxypyridine-3-carbonitrile?
4-(difluoromethyl)-6-formyl-5-hydroxypyridine-3-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 4-(difluoromethyl)-6-formyl-5-hydroxypyridine-3-carbonitrile is sourced from PubChem (CID 130076844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).