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

C7H6F2N2O2 — CID 118998642

IUPAC6-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
SMILESNc1[nH]c(=O)c(C=O)cc1C(F)F
InChIInChI=1S/C7H6F2N2O2/c8-5(9)4-1-3(2-12)7(13)11-6(4)10/h1-2,5H,(H3,10,11,13)
InChIKeyJWEOJDHZLAKOJY-UHFFFAOYSA-N
MW188.13 g/mol
LogP0.71
Rot. Bonds2

About 6-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde

6-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 118998642) has the molecular formula C7H6F2N2O2 and a molecular weight of 188.13 g/mol. Its IUPAC name is 6-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
PubChem CID118998642
Molecular FormulaC7H6F2N2O2
Molecular Weight188.13 g/mol
Exact Mass188.04
IUPAC Name6-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
SMILESNc1[nH]c(=O)c(C=O)cc1C(F)F
InChIInChI=1S/C7H6F2N2O2/c8-5(9)4-1-3(2-12)7(13)11-6(4)10/h1-2,5H,(H3,10,11,13)
InChIKeyJWEOJDHZLAKOJY-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

6-chloro-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
CID 164520830
2-Amino-5-(difluoromethyl)-6-hydroxynicotinamide
CID 118990764
6-Amino-5-(difluoromethyl)-2-hydroxynicotinamide
CID 118993099
6-Bromo-5-(difluoromethyl)-2-hydroxynicotinaldehyde
CID 118995701
6-Amino-5-(difluoromethyl)-3-methylpyridin-2-ol
CID 118999885
2-Amino-4-(difluoromethyl)-6-hydroxynicotinaldehyde
CID 119003639
2-Amino-5-(difluoromethyl)-6-hydroxynicotinaldehyde
CID 119005102
6-Amino-3-(difluoromethyl)-5-methylpyridin-2-ol
CID 119005120
6-Chloro-5-(difluoromethyl)-2-hydroxynicotinaldehyde
CID 119017353
6-Amino-5-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-ol
CID 119024526
5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
CID 130079620
5-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-3-carbaldehyde
CID 130079639

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 6-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde (CID 118998642) is 6-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 6-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 6-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde is Nc1[nH]c(=O)c(C=O)cc1C(F)F.
What is the InChIKey of 6-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is JWEOJDHZLAKOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O2/c8-5(9)4-1-3(2-12)7(13)11-6(4)10/h1-2,5H,(H3,10,11,13).
What are the key properties of 6-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde?
6-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-3-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)-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 118998642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).