ethane;5-isocyano-2-methylpyridine

C9H12N2 — CID 157188693

IUPACethane;5-isocyano-2-methylpyridine
SMILESCC.[C-]#[N+]c1ccc(C)nc1
InChIInChI=1S/C7H6N2.C2H6/c1-6-3-4-7(8-2)5-9-6;1-2/h3-5H,1H3;1-2H3
InChIKeyAPKZDWGFLLROJR-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.97
Rot. Bonds

About ethane;5-isocyano-2-methylpyridine

ethane;5-isocyano-2-methylpyridine (PubChem CID 157188693) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is ethane;5-isocyano-2-methylpyridine.

Molecular Properties

Compound Nameethane;5-isocyano-2-methylpyridine
PubChem CID157188693
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Nameethane;5-isocyano-2-methylpyridine
SMILESCC.[C-]#[N+]c1ccc(C)nc1
InChIInChI=1S/C7H6N2.C2H6/c1-6-3-4-7(8-2)5-9-6;1-2/h3-5H,1H3;1-2H3
InChIKeyAPKZDWGFLLROJR-UHFFFAOYSA-N
XLogP2.97
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.97
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

CID 161195002
CID 161195002
5-tert-butyl-2-methylpyridine;ethane
CID 162055015
2,5-dimethylpyrazine;ethane
CID 143125119
ethane;5-(4-ethylphenyl)-2-methylpyridine
CID 143418091
5-isocyano-2-(1-piperidin-1-ylethyl)pyridine
CID 59019275
potassium 6-methylpyridin-3-olate
CID 23709082
4-(4-isocyanophenyl)-1,2-dimethylbenzene
CID 146830010
5-(1,1-difluoroethyl)-2-methylpyridine;ethane
CID 145136619
6-[4-(5-isocyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
CID 58774670
5-tert-butyl-2-methylpyridine;methane
CID 157425273
2,5,9-trimethylazecine
CID 144887910
O-(6-methyl-3-pyridinyl)hydroxylamine
CID 143778365

Frequently Asked Questions

What is the IUPAC name of ethane;5-isocyano-2-methylpyridine?
The IUPAC name of ethane;5-isocyano-2-methylpyridine (CID 157188693) is ethane;5-isocyano-2-methylpyridine.
What is the SMILES notation for ethane;5-isocyano-2-methylpyridine?
The canonical SMILES for ethane;5-isocyano-2-methylpyridine is CC.[C-]#[N+]c1ccc(C)nc1.
What is the InChIKey of ethane;5-isocyano-2-methylpyridine?
The InChIKey is APKZDWGFLLROJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C2H6/c1-6-3-4-7(8-2)5-9-6;1-2/h3-5H,1H3;1-2H3.
What are the key properties of ethane;5-isocyano-2-methylpyridine?
ethane;5-isocyano-2-methylpyridine has a molecular weight of 148.21 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-isocyano-2-methylpyridine is sourced from PubChem (CID 157188693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).