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

C7H6F2N2O2 — CID 130104879

IUPAC3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde
SMILESNc1c(C=O)c(C(F)F)c[nH]c1=O
InChIInChI=1S/C7H6F2N2O2/c8-6(9)3-1-11-7(13)5(10)4(3)2-12/h1-2,6H,10H2,(H,11,13)
InChIKeyCUGKVAIJSFVRDH-UHFFFAOYSA-N
MW188.13 g/mol
LogP0.71
Rot. Bonds2

About 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde

3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde (PubChem CID 130104879) has the molecular formula C7H6F2N2O2 and a molecular weight of 188.13 g/mol. Its IUPAC name is 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde
PubChem CID130104879
Molecular FormulaC7H6F2N2O2
Molecular Weight188.13 g/mol
Exact Mass188.04
IUPAC Name3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde
SMILESNc1c(C=O)c(C(F)F)c[nH]c1=O
InChIInChI=1S/C7H6F2N2O2/c8-6(9)3-1-11-7(13)5(10)4(3)2-12/h1-2,6H,10H2,(H,11,13)
InChIKeyCUGKVAIJSFVRDH-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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Related Compounds

4-(aminomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130084651
5-(difluoromethyl)-4-formyl-2-oxo-1H-pyridine-3-carbonitrile
CID 130076847
3-amino-5-(difluoromethyl)-4-methyl-1H-pyridin-2-one
CID 130104590
5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbaldehyde
CID 130084427
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 130104913
5-(difluoromethyl)-4-methoxy-2-oxo-1H-pyridine-3-carbaldehyde
CID 130083468
3-amino-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
CID 130104559
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile
CID 130103221
3-amino-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one
CID 130104845
5-(difluoromethyl)-3-formyl-4-oxo-1H-pyridine-2-carbonitrile
CID 119023722
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130072642
4-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 118817785

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde?
The IUPAC name of 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde (CID 130104879) is 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde.
What is the SMILES notation for 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde?
The canonical SMILES for 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde is Nc1c(C=O)c(C(F)F)c[nH]c1=O.
What is the InChIKey of 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde?
The InChIKey is CUGKVAIJSFVRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O2/c8-6(9)3-1-11-7(13)5(10)4(3)2-12/h1-2,6H,10H2,(H,11,13).
What are the key properties of 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde?
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-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 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde is sourced from PubChem (CID 130104879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).