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

C7H6F2N2O2 — CID 118992620

IUPAC6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde
SMILESNc1[nH]c(C=O)cc(=O)c1C(F)F
InChIInChI=1S/C7H6F2N2O2/c8-6(9)5-4(13)1-3(2-12)11-7(5)10/h1-2,6H,(H3,10,11,13)
InChIKeyRJMNNIFYESYHSI-UHFFFAOYSA-N
MW188.13 g/mol
LogP0.71
Rot. Bonds2

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

6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde (PubChem CID 118992620) has the molecular formula C7H6F2N2O2 and a molecular weight of 188.13 g/mol. Its IUPAC name is 6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde
PubChem CID118992620
Molecular FormulaC7H6F2N2O2
Molecular Weight188.13 g/mol
Exact Mass188.04
IUPAC Name6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde
SMILESNc1[nH]c(C=O)cc(=O)c1C(F)F
InChIInChI=1S/C7H6F2N2O2/c8-6(9)5-4(13)1-3(2-12)11-7(5)10/h1-2,6H,(H3,10,11,13)
InChIKeyRJMNNIFYESYHSI-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 118800770
5-(difluoromethyl)-6-nitro-4-oxo-1H-pyridine-2-carbaldehyde
CID 130084413
6-bromo-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde
CID 130110384
4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbaldehyde
CID 118818290
2-bromo-3-(difluoromethyl)-6-fluoro-1H-pyridin-4-one
CID 130109271
2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride
CID 130104992
2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
CID 119016026
3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carboxamide
CID 130079843
3-(difluoromethyl)-4,6-difluoro-1H-pyridin-2-one
CID 130099612
2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-sulfonyl chloride
CID 130105040
4-(aminomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 118823507
4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 118828957

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde?
The IUPAC name of 6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde (CID 118992620) is 6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde is Nc1[nH]c(C=O)cc(=O)c1C(F)F.
What is the InChIKey of 6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde?
The InChIKey is RJMNNIFYESYHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O2/c8-6(9)5-4(13)1-3(2-12)11-7(5)10/h1-2,6H,(H3,10,11,13).
What are the key properties of 6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde?
6-amino-5-(difluoromethyl)-4-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 6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 118992620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).