2-(N-methoxy-C-methylcarbonimidoyl)pyridine-3-carbonitrile

C9H9N3O — CID 140887381

IUPAC2-(N-methoxy-C-methylcarbonimidoyl)pyridine-3-carbonitrile
SMILESCON=C(C)c1ncccc1C#N
InChIInChI=1S/C9H9N3O/c1-7(12-13-2)9-8(6-10)4-3-5-11-9/h3-5H,1-2H3
InChIKeyCFPRBVKKBUAAQM-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.32
Rot. Bonds2

About 2-(N-methoxy-C-methylcarbonimidoyl)pyridine-3-carbonitrile

2-(N-methoxy-C-methylcarbonimidoyl)pyridine-3-carbonitrile (PubChem CID 140887381) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-(N-methoxy-C-methylcarbonimidoyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(N-methoxy-C-methylcarbonimidoyl)pyridine-3-carbonitrile
PubChem CID140887381
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-(N-methoxy-C-methylcarbonimidoyl)pyridine-3-carbonitrile
SMILESCON=C(C)c1ncccc1C#N
InChIInChI=1S/C9H9N3O/c1-7(12-13-2)9-8(6-10)4-3-5-11-9/h3-5H,1-2H3
InChIKeyCFPRBVKKBUAAQM-UHFFFAOYSA-N
XLogP1.32
TPSA58.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 2-(N-methoxy-C-methylcarbonimidoyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(N-methoxy-C-methylcarbonimidoyl)pyridine-3-carbonitrile (CID 140887381) is 2-(N-methoxy-C-methylcarbonimidoyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(N-methoxy-C-methylcarbonimidoyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(N-methoxy-C-methylcarbonimidoyl)pyridine-3-carbonitrile is CON=C(C)c1ncccc1C#N.
What is the InChIKey of 2-(N-methoxy-C-methylcarbonimidoyl)pyridine-3-carbonitrile?
The InChIKey is CFPRBVKKBUAAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-7(12-13-2)9-8(6-10)4-3-5-11-9/h3-5H,1-2H3.
What are the key properties of 2-(N-methoxy-C-methylcarbonimidoyl)pyridine-3-carbonitrile?
2-(N-methoxy-C-methylcarbonimidoyl)pyridine-3-carbonitrile has a molecular weight of 175.19 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methoxy-C-methylcarbonimidoyl)pyridine-3-carbonitrile is sourced from PubChem (CID 140887381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).