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

C8H4F2N2O2 — CID 130076837

IUPAC2-(difluoromethyl)-4-formyl-5-hydroxypyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)ncc(O)c1C=O
InChIInChI=1S/C8H4F2N2O2/c9-8(10)7-4(1-11)5(3-13)6(14)2-12-7/h2-3,8,14H
InChIKeyQRZPQEUMVKFZFL-UHFFFAOYSA-N
MW198.13 g/mol
LogP1.41
Rot. Bonds2

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

2-(difluoromethyl)-4-formyl-5-hydroxypyridine-3-carbonitrile (PubChem CID 130076837) has the molecular formula C8H4F2N2O2 and a molecular weight of 198.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-formyl-5-hydroxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-4-formyl-5-hydroxypyridine-3-carbonitrile
PubChem CID130076837
Molecular FormulaC8H4F2N2O2
Molecular Weight198.13 g/mol
Exact Mass198.02
IUPAC Name2-(difluoromethyl)-4-formyl-5-hydroxypyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)ncc(O)c1C=O
InChIInChI=1S/C8H4F2N2O2/c9-8(10)7-4(1-11)5(3-13)6(14)2-12-7/h2-3,8,14H
InChIKeyQRZPQEUMVKFZFL-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

2-(difluoromethyl)-4-formyl-5-methylpyridine-3-carbonitrile
CID 130078361
2-(difluoromethyl)-4-formyl-5-nitropyridine-3-carbonitrile
CID 130078736
3-chloro-2-(difluoromethyl)-5-hydroxypyridine-4-carbonitrile
CID 130070938
4-(difluoromethyl)-3-formyl-5-hydroxypyridine-2-carbonitrile
CID 130076823
4-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde
CID 118829702
4-(chloromethyl)-2-(difluoromethyl)-5-formylpyridine-3-carbonitrile
CID 130079154
5-(difluoromethyl)-4-formyl-3-hydroxypyridine-2-carbonitrile
CID 130076826
2-(difluoromethyl)-5-formyl-3-methoxypyridine-4-carbonitrile
CID 118800032
5-amino-2-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde
CID 130104885
4-bromo-5-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 130109044
4-cyano-2-(difluoromethyl)-5-methylpyridine-3-sulfonamide
CID 118821692
5-cyano-6-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride
CID 130076358

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-formyl-5-hydroxypyridine-3-carbonitrile?
The IUPAC name of 2-(difluoromethyl)-4-formyl-5-hydroxypyridine-3-carbonitrile (CID 130076837) is 2-(difluoromethyl)-4-formyl-5-hydroxypyridine-3-carbonitrile.
What is the SMILES notation for 2-(difluoromethyl)-4-formyl-5-hydroxypyridine-3-carbonitrile?
The canonical SMILES for 2-(difluoromethyl)-4-formyl-5-hydroxypyridine-3-carbonitrile is N#Cc1c(C(F)F)ncc(O)c1C=O.
What is the InChIKey of 2-(difluoromethyl)-4-formyl-5-hydroxypyridine-3-carbonitrile?
The InChIKey is QRZPQEUMVKFZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2O2/c9-8(10)7-4(1-11)5(3-13)6(14)2-12-7/h2-3,8,14H.
What are the key properties of 2-(difluoromethyl)-4-formyl-5-hydroxypyridine-3-carbonitrile?
2-(difluoromethyl)-4-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 2-(difluoromethyl)-4-formyl-5-hydroxypyridine-3-carbonitrile is sourced from PubChem (CID 130076837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).