2-ethyl-3-isocyanopyridine

C8H8N2 — CID 157404495

IUPAC2-ethyl-3-isocyanopyridine
SMILES[C-]#[N+]c1cccnc1CC
InChIInChI=1S/C8H8N2/c1-3-7-8(9-2)5-4-6-10-7/h4-6H,3H2,1H3
InChIKeyBNOHBFASPFBKJG-UHFFFAOYSA-N
MW132.17 g/mol
LogP2.19
Rot. Bonds1

About 2-ethyl-3-isocyanopyridine

2-ethyl-3-isocyanopyridine (PubChem CID 157404495) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 2-ethyl-3-isocyanopyridine.

Molecular Properties

Compound Name2-ethyl-3-isocyanopyridine
PubChem CID157404495
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name2-ethyl-3-isocyanopyridine
SMILES[C-]#[N+]c1cccnc1CC
InChIInChI=1S/C8H8N2/c1-3-7-8(9-2)5-4-6-10-7/h4-6H,3H2,1H3
InChIKeyBNOHBFASPFBKJG-UHFFFAOYSA-N
XLogP2.19
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 52.19
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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Related Compounds

2,3-diethylpyridine
CID 14747123
3-tert-butyl-2-ethylpyridine
CID 20664467
3-(chloromethyl)-2-ethylpyridine;hydrochloride
CID 142546922
ethane;2-ethyl-3-methoxypyridine
CID 144504427
2-ethyl-3-(methoxymethoxy)pyridine
CID 20598170
2-ethyl-3-(2,2,2-trifluoroethyl)pyridine
CID 177328256
2-diazo-1-(2-ethyl-3-pyridinyl)ethanone
CID 154447590
3-(1-chloropropyl)-2-ethylpyridine
CID 138471513
3-(2-chlorophenyl)-2-ethylpyridine
CID 118357808
3-ethyl-2-(iodomethyl)pyridine
CID 166542162
(2-ethyl-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane
CID 154975722
2-isocyano-3-methylsulfanylpyridine
CID 23383667

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-isocyanopyridine?
The IUPAC name of 2-ethyl-3-isocyanopyridine (CID 157404495) is 2-ethyl-3-isocyanopyridine.
What is the SMILES notation for 2-ethyl-3-isocyanopyridine?
The canonical SMILES for 2-ethyl-3-isocyanopyridine is [C-]#[N+]c1cccnc1CC.
What is the InChIKey of 2-ethyl-3-isocyanopyridine?
The InChIKey is BNOHBFASPFBKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-3-7-8(9-2)5-4-6-10-7/h4-6H,3H2,1H3.
What are the key properties of 2-ethyl-3-isocyanopyridine?
2-ethyl-3-isocyanopyridine has a molecular weight of 132.17 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-isocyanopyridine is sourced from PubChem (CID 157404495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).