4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbaldehyde

C8H7F2NO2 — CID 118818290

IUPAC4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbaldehyde
SMILESCc1c(C(F)F)cc(C=O)[nH]c1=O
InChIInChI=1S/C8H7F2NO2/c1-4-6(7(9)10)2-5(3-12)11-8(4)13/h2-3,7H,1H3,(H,11,13)
InChIKeyDPTFYYAUDIPHMC-UHFFFAOYSA-N
MW187.14 g/mol
LogP1.43
Rot. Bonds2

About 4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbaldehyde

4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbaldehyde (PubChem CID 118818290) has the molecular formula C8H7F2NO2 and a molecular weight of 187.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbaldehyde
PubChem CID118818290
Molecular FormulaC8H7F2NO2
Molecular Weight187.14 g/mol
Exact Mass187.04
IUPAC Name4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbaldehyde
SMILESCc1c(C(F)F)cc(C=O)[nH]c1=O
InChIInChI=1S/C8H7F2NO2/c1-4-6(7(9)10)2-5(3-12)11-8(4)13/h2-3,7H,1H3,(H,11,13)
InChIKeyDPTFYYAUDIPHMC-UHFFFAOYSA-N
XLogP1.43
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.14
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbaldehyde (CID 118818290) is 4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbaldehyde is Cc1c(C(F)F)cc(C=O)[nH]c1=O.
What is the InChIKey of 4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbaldehyde?
The InChIKey is DPTFYYAUDIPHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c1-4-6(7(9)10)2-5(3-12)11-8(4)13/h2-3,7H,1H3,(H,11,13).
What are the key properties of 4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbaldehyde?
4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbaldehyde has a molecular weight of 187.14 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 118818290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).