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

C8H7F2NO3 — CID 118806943

IUPAC4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCOc1cc(C(F)F)c(C=O)c(=O)[nH]1
InChIInChI=1S/C8H7F2NO3/c1-14-6-2-4(7(9)10)5(3-12)8(13)11-6/h2-3,7H,1H3,(H,11,13)
InChIKeyCJZPPNVRXJUVLZ-UHFFFAOYSA-N
MW203.14 g/mol
LogP1.13
Rot. Bonds3

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

4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 118806943) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridine-3-carbaldehyde
PubChem CID118806943
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCOc1cc(C(F)F)c(C=O)c(=O)[nH]1
InChIInChI=1S/C8H7F2NO3/c1-14-6-2-4(7(9)10)5(3-12)8(13)11-6/h2-3,7H,1H3,(H,11,13)
InChIKeyCJZPPNVRXJUVLZ-UHFFFAOYSA-N
XLogP1.13
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
CID 164520833
4-(Difluoromethyl)-2-hydroxy-6-methoxynicotinoyl chloride
CID 118801307
4-(Difluoromethyl)-2-hydroxy-6-(trifluoromethoxy)nicotinaldehyde
CID 118806805
4-(fluoromethyl)-3-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 118807143
4-(Difluoromethyl)-2-hydroxy-6-iodonicotinaldehyde
CID 118812648
4-(Difluoromethyl)-3-methyl-6-(trifluoromethoxy)pyridin-2-ol
CID 118818283
4-(Difluoromethyl)-6-fluoro-2-hydroxynicotinaldehyde
CID 118818292
4-(Difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridin-2-ol
CID 118818300
4-(fluoromethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one
CID 118822953
4-(fluoromethyl)-2-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 118822994
4-(Difluoromethyl)-2-hydroxy-6-methoxynicotinamide
CID 118823516
4-(Difluoromethyl)-3-fluoro-6-methoxypyridin-2-ol
CID 118846457

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridine-3-carbaldehyde (CID 118806943) is 4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridine-3-carbaldehyde is COc1cc(C(F)F)c(C=O)c(=O)[nH]1.
What is the InChIKey of 4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is CJZPPNVRXJUVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c1-14-6-2-4(7(9)10)5(3-12)8(13)11-6/h2-3,7H,1H3,(H,11,13).
What are the key properties of 4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridine-3-carbaldehyde?
4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridine-3-carbaldehyde has a molecular weight of 203.14 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 118806943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).