ethane;5-methylpyridine-2-carbonitrile

C9H12N2 — CID 143546182

IUPACethane;5-methylpyridine-2-carbonitrile
SMILESCC.Cc1ccc(C#N)nc1
InChIInChI=1S/C7H6N2.C2H6/c1-6-2-3-7(4-8)9-5-6;1-2/h2-3,5H,1H3;1-2H3
InChIKeyXGCZNVDJGNHJLO-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.29
Rot. Bonds

About ethane;5-methylpyridine-2-carbonitrile

ethane;5-methylpyridine-2-carbonitrile (PubChem CID 143546182) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is ethane;5-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Nameethane;5-methylpyridine-2-carbonitrile
PubChem CID143546182
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Nameethane;5-methylpyridine-2-carbonitrile
SMILESCC.Cc1ccc(C#N)nc1
InChIInChI=1S/C7H6N2.C2H6/c1-6-2-3-7(4-8)9-5-6;1-2/h2-3,5H,1H3;1-2H3
InChIKeyXGCZNVDJGNHJLO-UHFFFAOYSA-N
XLogP2.29
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methylpyridine-2-carbonitrile?
The IUPAC name of ethane;5-methylpyridine-2-carbonitrile (CID 143546182) is ethane;5-methylpyridine-2-carbonitrile.
What is the SMILES notation for ethane;5-methylpyridine-2-carbonitrile?
The canonical SMILES for ethane;5-methylpyridine-2-carbonitrile is CC.Cc1ccc(C#N)nc1.
What is the InChIKey of ethane;5-methylpyridine-2-carbonitrile?
The InChIKey is XGCZNVDJGNHJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C2H6/c1-6-2-3-7(4-8)9-5-6;1-2/h2-3,5H,1H3;1-2H3.
What are the key properties of ethane;5-methylpyridine-2-carbonitrile?
ethane;5-methylpyridine-2-carbonitrile has a molecular weight of 148.21 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methylpyridine-2-carbonitrile is sourced from PubChem (CID 143546182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).