6-methanehydrazonoyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile

C12H9N5O — CID 137321290

IUPAC6-methanehydrazonoyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccncc2)c(C=NN)[nH]c1=O
InChIInChI=1S/C12H9N5O/c13-6-9-5-10(8-1-3-15-4-2-8)11(7-16-14)17-12(9)18/h1-5,7H,14H2,(H,17,18)
InChIKeyKJRKRHGTENMKAI-UHFFFAOYSA-N
MW239.24 g/mol
LogP0.60
Rot. Bonds2

About 6-methanehydrazonoyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile

6-methanehydrazonoyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile (PubChem CID 137321290) has the molecular formula C12H9N5O and a molecular weight of 239.24 g/mol. Its IUPAC name is 6-methanehydrazonoyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methanehydrazonoyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
PubChem CID137321290
Molecular FormulaC12H9N5O
Molecular Weight239.24 g/mol
Exact Mass239.08
IUPAC Name6-methanehydrazonoyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccncc2)c(C=NN)[nH]c1=O
InChIInChI=1S/C12H9N5O/c13-6-9-5-10(8-1-3-15-4-2-8)11(7-16-14)17-12(9)18/h1-5,7H,14H2,(H,17,18)
InChIKeyKJRKRHGTENMKAI-UHFFFAOYSA-N
XLogP0.60
TPSA107.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methanehydrazonoyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methanehydrazonoyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile (CID 137321290) is 6-methanehydrazonoyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methanehydrazonoyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methanehydrazonoyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile is N#Cc1cc(-c2ccncc2)c(C=NN)[nH]c1=O.
What is the InChIKey of 6-methanehydrazonoyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile?
The InChIKey is KJRKRHGTENMKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O/c13-6-9-5-10(8-1-3-15-4-2-8)11(7-16-14)17-12(9)18/h1-5,7H,14H2,(H,17,18).
What are the key properties of 6-methanehydrazonoyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile?
6-methanehydrazonoyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile has a molecular weight of 239.24 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methanehydrazonoyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 137321290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).