ethane;2-methylidenepyridin-3-imine

C8H12N2 — CID 169157753

IUPACethane;2-methylidenepyridin-3-imine
SMILESCC.[H]/N=C1\C=CC=NC1=C
InChIInChI=1S/C6H6N2.C2H6/c1-5-6(7)3-2-4-8-5;1-2/h2-4,7H,1H2;1-2H3/b7-6+;
InChIKeyWEOPVXCJLSLWKA-UHDJGPCESA-N
MW136.20 g/mol
LogP2.19
Rot. Bonds

About ethane;2-methylidenepyridin-3-imine

ethane;2-methylidenepyridin-3-imine (PubChem CID 169157753) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is ethane;2-methylidenepyridin-3-imine.

Molecular Properties

Compound Nameethane;2-methylidenepyridin-3-imine
PubChem CID169157753
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Nameethane;2-methylidenepyridin-3-imine
SMILESCC.[H]/N=C1\C=CC=NC1=C
InChIInChI=1S/C6H6N2.C2H6/c1-5-6(7)3-2-4-8-5;1-2/h2-4,7H,1H2;1-2H3/b7-6+;
InChIKeyWEOPVXCJLSLWKA-UHDJGPCESA-N
XLogP2.19
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Dihydropyridin-4(1h)-imine
CID 19906283
5-Fluoro-2-methylidenepyridin-3-imine
CID 144500231
(Z)-1-tert-butyliminopent-2-en-3-amine
CID 10986475
N-butyl-2H-pyridin-3-imine
CID 19388629
3-Iminopyridine
CID 21332821
2,3-Dihydropyridin-5-amine
CID 54086038
(2E)-2-ethylidene-N-methylpyridin-3-imine
CID 68010674
2,3-Dihydro-1,5-naphthyridine
CID 68214849
N-propan-2-yl-2H-pyridin-3-imine
CID 69530945
N-methyl-2H-pyridin-3-imine
CID 70547200
(E)-N-[(Z)-1-(4-methyl-2,3-dihydropyridin-6-yl)prop-1-enyl]but-2-en-1-imine
CID 71158073
2-ethylidene-N-methylpyridin-3-imine
CID 77385875

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylidenepyridin-3-imine?
The IUPAC name of ethane;2-methylidenepyridin-3-imine (CID 169157753) is ethane;2-methylidenepyridin-3-imine.
What is the SMILES notation for ethane;2-methylidenepyridin-3-imine?
The canonical SMILES for ethane;2-methylidenepyridin-3-imine is CC.[H]/N=C1\C=CC=NC1=C.
What is the InChIKey of ethane;2-methylidenepyridin-3-imine?
The InChIKey is WEOPVXCJLSLWKA-UHDJGPCESA-N. The full InChI is InChI=1S/C6H6N2.C2H6/c1-5-6(7)3-2-4-8-5;1-2/h2-4,7H,1H2;1-2H3/b7-6+;.
What are the key properties of ethane;2-methylidenepyridin-3-imine?
ethane;2-methylidenepyridin-3-imine has a molecular weight of 136.20 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylidenepyridin-3-imine is sourced from PubChem (CID 169157753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).