2-(4-isocyanophenyl)-6-methylpyridine

C13H10N2 — CID 58861254

IUPAC2-(4-isocyanophenyl)-6-methylpyridine
SMILES[C-]#[N+]c1ccc(-c2cccc(C)n2)cc1
InChIInChI=1S/C13H10N2/c1-10-4-3-5-13(15-10)11-6-8-12(14-2)9-7-11/h3-9H,1H3
InChIKeyMIUDACCPSSLUST-UHFFFAOYSA-N
MW194.24 g/mol
LogP3.61
Rot. Bonds1

About 2-(4-isocyanophenyl)-6-methylpyridine

2-(4-isocyanophenyl)-6-methylpyridine (PubChem CID 58861254) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-(4-isocyanophenyl)-6-methylpyridine.

Molecular Properties

Compound Name2-(4-isocyanophenyl)-6-methylpyridine
PubChem CID58861254
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name2-(4-isocyanophenyl)-6-methylpyridine
SMILES[C-]#[N+]c1ccc(-c2cccc(C)n2)cc1
InChIInChI=1S/C13H10N2/c1-10-4-3-5-13(15-10)11-6-8-12(14-2)9-7-11/h3-9H,1H3
InChIKeyMIUDACCPSSLUST-UHFFFAOYSA-N
XLogP3.61
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-isocyanophenyl)-6-methylpyridine?
The IUPAC name of 2-(4-isocyanophenyl)-6-methylpyridine (CID 58861254) is 2-(4-isocyanophenyl)-6-methylpyridine.
What is the SMILES notation for 2-(4-isocyanophenyl)-6-methylpyridine?
The canonical SMILES for 2-(4-isocyanophenyl)-6-methylpyridine is [C-]#[N+]c1ccc(-c2cccc(C)n2)cc1.
What is the InChIKey of 2-(4-isocyanophenyl)-6-methylpyridine?
The InChIKey is MIUDACCPSSLUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-10-4-3-5-13(15-10)11-6-8-12(14-2)9-7-11/h3-9H,1H3.
What are the key properties of 2-(4-isocyanophenyl)-6-methylpyridine?
2-(4-isocyanophenyl)-6-methylpyridine has a molecular weight of 194.24 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-isocyanophenyl)-6-methylpyridine is sourced from PubChem (CID 58861254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).