2-isocyano-6-methyl-4-propan-2-ylpyridine

C10H12N2 — CID 88576815

IUPAC2-isocyano-6-methyl-4-propan-2-ylpyridine
SMILES[C-]#[N+]c1cc(C(C)C)cc(C)n1
InChIInChI=1S/C10H12N2/c1-7(2)9-5-8(3)12-10(6-9)11-4/h5-7H,1-3H3
InChIKeyYEOMHDYPLAWXMZ-UHFFFAOYSA-N
MW160.22 g/mol
LogP3.06
Rot. Bonds1

About 2-isocyano-6-methyl-4-propan-2-ylpyridine

2-isocyano-6-methyl-4-propan-2-ylpyridine (PubChem CID 88576815) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-isocyano-6-methyl-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-isocyano-6-methyl-4-propan-2-ylpyridine
PubChem CID88576815
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-isocyano-6-methyl-4-propan-2-ylpyridine
SMILES[C-]#[N+]c1cc(C(C)C)cc(C)n1
InChIInChI=1S/C10H12N2/c1-7(2)9-5-8(3)12-10(6-9)11-4/h5-7H,1-3H3
InChIKeyYEOMHDYPLAWXMZ-UHFFFAOYSA-N
XLogP3.06
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 53.06
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-isocyano-6-methyl-4-propan-2-ylpyridine?
The IUPAC name of 2-isocyano-6-methyl-4-propan-2-ylpyridine (CID 88576815) is 2-isocyano-6-methyl-4-propan-2-ylpyridine.
What is the SMILES notation for 2-isocyano-6-methyl-4-propan-2-ylpyridine?
The canonical SMILES for 2-isocyano-6-methyl-4-propan-2-ylpyridine is [C-]#[N+]c1cc(C(C)C)cc(C)n1.
What is the InChIKey of 2-isocyano-6-methyl-4-propan-2-ylpyridine?
The InChIKey is YEOMHDYPLAWXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-7(2)9-5-8(3)12-10(6-9)11-4/h5-7H,1-3H3.
What are the key properties of 2-isocyano-6-methyl-4-propan-2-ylpyridine?
2-isocyano-6-methyl-4-propan-2-ylpyridine has a molecular weight of 160.22 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyano-6-methyl-4-propan-2-ylpyridine is sourced from PubChem (CID 88576815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).