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

C8H7F2NO3 — CID 118828577

IUPAC4-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-3-carbaldehyde
SMILESCOc1[nH]c(=O)cc(C(F)F)c1C=O
InChIInChI=1S/C8H7F2NO3/c1-14-8-5(3-12)4(7(9)10)2-6(13)11-8/h2-3,7H,1H3,(H,11,13)
InChIKeyKIEGEYISBLWTKC-UHFFFAOYSA-N
MW203.14 g/mol
LogP1.13
Rot. Bonds3

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

4-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 118828577) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-3-carbaldehyde
PubChem CID118828577
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name4-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-3-carbaldehyde
SMILESCOc1[nH]c(=O)cc(C(F)F)c1C=O
InChIInChI=1S/C8H7F2NO3/c1-14-8-5(3-12)4(7(9)10)2-6(13)11-8/h2-3,7H,1H3,(H,11,13)
InChIKeyKIEGEYISBLWTKC-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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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-3-carbaldehyde (CID 118828577) is 4-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-3-carbaldehyde is COc1[nH]c(=O)cc(C(F)F)c1C=O.
What is the InChIKey of 4-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is KIEGEYISBLWTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c1-14-8-5(3-12)4(7(9)10)2-6(13)11-8/h2-3,7H,1H3,(H,11,13).
What are the key properties of 4-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-3-carbaldehyde?
4-(difluoromethyl)-2-methoxy-6-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)-2-methoxy-6-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 118828577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).