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

C7H6F2N2O2 — CID 118800770

IUPAC4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
SMILESNc1cc(C=O)[nH]c(=O)c1C(F)F
InChIInChI=1S/C7H6F2N2O2/c8-6(9)5-4(10)1-3(2-12)11-7(5)13/h1-2,6H,(H3,10,11,13)
InChIKeyPXUCFIZKAAUHFR-UHFFFAOYSA-N
MW188.13 g/mol
LogP0.71
Rot. Bonds2

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

4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde (PubChem CID 118800770) has the molecular formula C7H6F2N2O2 and a molecular weight of 188.13 g/mol. Its IUPAC name is 4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
PubChem CID118800770
Molecular FormulaC7H6F2N2O2
Molecular Weight188.13 g/mol
Exact Mass188.04
IUPAC Name4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
SMILESNc1cc(C=O)[nH]c(=O)c1C(F)F
InChIInChI=1S/C7H6F2N2O2/c8-6(9)5-4(10)1-3(2-12)11-7(5)13/h1-2,6H,(H3,10,11,13)
InChIKeyPXUCFIZKAAUHFR-UHFFFAOYSA-N
XLogP0.71
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 50.71
H-Bond Donors ≤ 52
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-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde?
The IUPAC name of 4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde (CID 118800770) is 4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde is Nc1cc(C=O)[nH]c(=O)c1C(F)F.
What is the InChIKey of 4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde?
The InChIKey is PXUCFIZKAAUHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O2/c8-6(9)5-4(10)1-3(2-12)11-7(5)13/h1-2,6H,(H3,10,11,13).
What are the key properties of 4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde?
4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde has a molecular weight of 188.13 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 118800770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).