2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbaldehyde

C8H7F2NO2 — CID 118832080

IUPAC2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbaldehyde
SMILESCc1c(C=O)cc(=O)[nH]c1C(F)F
InChIInChI=1S/C8H7F2NO2/c1-4-5(3-12)2-6(13)11-7(4)8(9)10/h2-3,8H,1H3,(H,11,13)
InChIKeyBUTMOVPNQXMYOS-UHFFFAOYSA-N
MW187.15 g/mol
LogP1.43
Rot. Bonds2

About 2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbaldehyde

2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbaldehyde (PubChem CID 118832080) has the molecular formula C8H7F2NO2 and a molecular weight of 187.15 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbaldehyde
PubChem CID118832080
Molecular FormulaC8H7F2NO2
Molecular Weight187.15 g/mol
Exact Mass187.04
IUPAC Name2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbaldehyde
SMILESCc1c(C=O)cc(=O)[nH]c1C(F)F
InChIInChI=1S/C8H7F2NO2/c1-4-5(3-12)2-6(13)11-7(4)8(9)10/h2-3,8H,1H3,(H,11,13)
InChIKeyBUTMOVPNQXMYOS-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 ≤ 500187.15
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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Related Compounds

4-amino-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one
CID 118817701
6-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
CID 118842995
5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 130072658
2-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbaldehyde
CID 118832066
4,5-dichloro-6-(difluoromethyl)-1H-pyridin-2-one
CID 130099225
5-(chloromethyl)-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130085193
4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbaldehyde
CID 118818290
2-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-4-one
CID 118825989
6-(difluoromethyl)-5-fluoro-4-iodo-1H-pyridin-2-one
CID 118826088
methyl 2-(difluoromethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 130083978
5-amino-4-bromo-6-(difluoromethyl)-1H-pyridin-2-one
CID 130101695
6-bromo-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
CID 130110088

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbaldehyde?
The IUPAC name of 2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbaldehyde (CID 118832080) is 2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbaldehyde.
What is the SMILES notation for 2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbaldehyde?
The canonical SMILES for 2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbaldehyde is Cc1c(C=O)cc(=O)[nH]c1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbaldehyde?
The InChIKey is BUTMOVPNQXMYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c1-4-5(3-12)2-6(13)11-7(4)8(9)10/h2-3,8H,1H3,(H,11,13).
What are the key properties of 2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbaldehyde?
2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbaldehyde has a molecular weight of 187.15 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 2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbaldehyde is sourced from PubChem (CID 118832080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).