2-(6-chloro-3-pyridinyl)-N-cyano-N-methylpropanimidamide

C10H11ClN4 — CID 22375075

IUPAC2-(6-chloro-3-pyridinyl)-N-cyano-N-methylpropanimidamide
SMILES[H]/N=C(/C(C)c1ccc(Cl)nc1)N(C)C#N
InChIInChI=1S/C10H11ClN4/c1-7(10(13)15(2)6-12)8-3-4-9(11)14-5-8/h3-5,7,13H,1-2H3/b13-10-
InChIKeyRHMNIFICDARVOQ-RAXLEYEMSA-N
MW222.68 g/mol
LogP2.23
Rot. Bonds2

About 2-(6-chloro-3-pyridinyl)-N-cyano-N-methylpropanimidamide

2-(6-chloro-3-pyridinyl)-N-cyano-N-methylpropanimidamide (PubChem CID 22375075) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-N-cyano-N-methylpropanimidamide.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-N-cyano-N-methylpropanimidamide
PubChem CID22375075
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name2-(6-chloro-3-pyridinyl)-N-cyano-N-methylpropanimidamide
SMILES[H]/N=C(/C(C)c1ccc(Cl)nc1)N(C)C#N
InChIInChI=1S/C10H11ClN4/c1-7(10(13)15(2)6-12)8-3-4-9(11)14-5-8/h3-5,7,13H,1-2H3/b13-10-
InChIKeyRHMNIFICDARVOQ-RAXLEYEMSA-N
XLogP2.23
TPSA63.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)-N-cyano-N-methylpropanimidamide?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-N-cyano-N-methylpropanimidamide (CID 22375075) is 2-(6-chloro-3-pyridinyl)-N-cyano-N-methylpropanimidamide.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-N-cyano-N-methylpropanimidamide?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-N-cyano-N-methylpropanimidamide is [H]/N=C(/C(C)c1ccc(Cl)nc1)N(C)C#N.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-N-cyano-N-methylpropanimidamide?
The InChIKey is RHMNIFICDARVOQ-RAXLEYEMSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-7(10(13)15(2)6-12)8-3-4-9(11)14-5-8/h3-5,7,13H,1-2H3/b13-10-.
What are the key properties of 2-(6-chloro-3-pyridinyl)-N-cyano-N-methylpropanimidamide?
2-(6-chloro-3-pyridinyl)-N-cyano-N-methylpropanimidamide has a molecular weight of 222.68 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-N-cyano-N-methylpropanimidamide is sourced from PubChem (CID 22375075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).