ethane;2-methylpyridine

C8H11N — CID 91471187

IUPACethane;2-methylpyridine
SMILESCC.CC1=NC=C=C=C1
InChIInChI=1S/C6H5N.C2H6/c1-6-4-2-3-5-7-6;1-2/h4-5H,1H3;1-2H3
InChIKeyVDHYGLDIJGNOIP-UHFFFAOYSA-N
MW121.18 g/mol
LogP2.31
Rot. Bonds

About ethane;2-methylpyridine

ethane;2-methylpyridine (PubChem CID 91471187) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is ethane;2-methylpyridine.

Molecular Properties

Compound Nameethane;2-methylpyridine
PubChem CID91471187
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Nameethane;2-methylpyridine
SMILESCC.CC1=NC=C=C=C1
InChIInChI=1S/C6H5N.C2H6/c1-6-4-2-3-5-7-6;1-2/h4-5H,1H3;1-2H3
InChIKeyVDHYGLDIJGNOIP-UHFFFAOYSA-N
XLogP2.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;2-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpyridine?
The IUPAC name of ethane;2-methylpyridine (CID 91471187) is ethane;2-methylpyridine.
What is the SMILES notation for ethane;2-methylpyridine?
The canonical SMILES for ethane;2-methylpyridine is CC.CC1=NC=C=C=C1.
What is the InChIKey of ethane;2-methylpyridine?
The InChIKey is VDHYGLDIJGNOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N.C2H6/c1-6-4-2-3-5-7-6;1-2/h4-5H,1H3;1-2H3.
What are the key properties of ethane;2-methylpyridine?
ethane;2-methylpyridine has a molecular weight of 121.18 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpyridine is sourced from PubChem (CID 91471187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).