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

C8H8F2N2O2 — CID 130084657

IUPAC3-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde
SMILESNCc1c(C=O)cc(C(F)F)[nH]c1=O
InChIInChI=1S/C8H8F2N2O2/c9-7(10)6-1-4(3-13)5(2-11)8(14)12-6/h1,3,7H,2,11H2,(H,12,14)
InChIKeyLDLFACNTUKSGFE-UHFFFAOYSA-N
MW202.16 g/mol
LogP0.58
Rot. Bonds3

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

3-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde (PubChem CID 130084657) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde
PubChem CID130084657
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Name3-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde
SMILESNCc1c(C=O)cc(C(F)F)[nH]c1=O
InChIInChI=1S/C8H8F2N2O2/c9-7(10)6-1-4(3-13)5(2-11)8(14)12-6/h1,3,7H,2,11H2,(H,12,14)
InChIKeyLDLFACNTUKSGFE-UHFFFAOYSA-N
XLogP0.58
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 50.58
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 3-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde?
The IUPAC name of 3-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde (CID 130084657) is 3-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde.
What is the SMILES notation for 3-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde?
The canonical SMILES for 3-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde is NCc1c(C=O)cc(C(F)F)[nH]c1=O.
What is the InChIKey of 3-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde?
The InChIKey is LDLFACNTUKSGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c9-7(10)6-1-4(3-13)5(2-11)8(14)12-6/h1,3,7H,2,11H2,(H,12,14).
What are the key properties of 3-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde?
3-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde has a molecular weight of 202.16 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde is sourced from PubChem (CID 130084657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).