6-oxo-3H-pyridine-3-carbonitrile

C6H4N2O — CID 71303740

IUPAC6-oxo-3H-pyridine-3-carbonitrile
SMILESN#CC1C=CC(=O)N=C1
InChIInChI=1S/C6H4N2O/c7-3-5-1-2-6(9)8-4-5/h1-2,4-5H
InChIKeySSCLHYCPDGYAMK-UHFFFAOYSA-N
MW120.11 g/mol
LogP0.29
Rot. Bonds

About 6-oxo-3H-pyridine-3-carbonitrile

6-oxo-3H-pyridine-3-carbonitrile (PubChem CID 71303740) has the molecular formula C6H4N2O and a molecular weight of 120.11 g/mol. Its IUPAC name is 6-oxo-3H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-oxo-3H-pyridine-3-carbonitrile
PubChem CID71303740
Molecular FormulaC6H4N2O
Molecular Weight120.11 g/mol
Exact Mass120.03
IUPAC Name6-oxo-3H-pyridine-3-carbonitrile
SMILESN#CC1C=CC(=O)N=C1
InChIInChI=1S/C6H4N2O/c7-3-5-1-2-6(9)8-4-5/h1-2,4-5H
InChIKeySSCLHYCPDGYAMK-UHFFFAOYSA-N
XLogP0.29
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-3H-pyridin-6-one
CID 85437367
4-(2-aminoethyl)cyclohepta-2,4,6-triene-1-carbonitrile
CID 175632079
(1S,6R)-2,5-dioxobicyclo[4.1.0]hept-3-ene-7-carbonitrile
CID 12524166
3-[4-(prop-2-ynoxymethyl)piperidine-1-carbonyl]-3H-pyridin-6-one
CID 75278515
6-tert-butyl-2-oxo-3H-pyridine-3-carbonitrile
CID 73177817
3-bromo-3H-pyridazin-6-one
CID 78174474
3-amino-2-oxo-3H-pyridine-6-carbonitrile
CID 178188837
tricyclo[5.2.1.02,6]deca-2(6),4,8-trien-3-one
CID 86169630
1-(4-methyl-3-oxopyrazin-2-yl)azetidine-3-carbonitrile
CID 119103522
6-oxo-3H-pyridazine-3-carboxamide
CID 71628596
4-bromocyclohexa-2,4-diene-1-carbonitrile
CID 122535924
(1R,2S,6R,7R,8R)-11-oxotricyclo[5.3.1.02,6]undec-9-ene-8-carbonitrile
CID 10679141

Frequently Asked Questions

What is the IUPAC name of 6-oxo-3H-pyridine-3-carbonitrile?
The IUPAC name of 6-oxo-3H-pyridine-3-carbonitrile (CID 71303740) is 6-oxo-3H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-oxo-3H-pyridine-3-carbonitrile?
The canonical SMILES for 6-oxo-3H-pyridine-3-carbonitrile is N#CC1C=CC(=O)N=C1.
What is the InChIKey of 6-oxo-3H-pyridine-3-carbonitrile?
The InChIKey is SSCLHYCPDGYAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O/c7-3-5-1-2-6(9)8-4-5/h1-2,4-5H.
What are the key properties of 6-oxo-3H-pyridine-3-carbonitrile?
6-oxo-3H-pyridine-3-carbonitrile has a molecular weight of 120.11 g/mol, XLogP of 0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-3H-pyridine-3-carbonitrile is sourced from PubChem (CID 71303740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).