ethane;5-propan-2-ylpyridine-2-carbonitrile

C11H16N2 — CID 145459140

IUPACethane;5-propan-2-ylpyridine-2-carbonitrile
SMILESCC.CC(C)c1ccc(C#N)nc1
InChIInChI=1S/C9H10N2.C2H6/c1-7(2)8-3-4-9(5-10)11-6-8;1-2/h3-4,6-7H,1-2H3;1-2H3
InChIKeyPILJBQVXMLGBIJ-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.10
Rot. Bonds1

About ethane;5-propan-2-ylpyridine-2-carbonitrile

ethane;5-propan-2-ylpyridine-2-carbonitrile (PubChem CID 145459140) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is ethane;5-propan-2-ylpyridine-2-carbonitrile.

Molecular Properties

Compound Nameethane;5-propan-2-ylpyridine-2-carbonitrile
PubChem CID145459140
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Nameethane;5-propan-2-ylpyridine-2-carbonitrile
SMILESCC.CC(C)c1ccc(C#N)nc1
InChIInChI=1S/C9H10N2.C2H6/c1-7(2)8-3-4-9(5-10)11-6-8;1-2/h3-4,6-7H,1-2H3;1-2H3
InChIKeyPILJBQVXMLGBIJ-UHFFFAOYSA-N
XLogP3.10
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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ethane;5-methylpyridine-2-carbonitrile
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5-(3-bromo-1,2-dihydroxypropyl)pyridine-2-carbonitrile
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ethane;5-methanidylpyridine-2-carbonitrile;yttrium
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CID 115487439
5-propan-2-ylsulfanylpyridine-2-carbonitrile
CID 115489961
5-(1-amino-3-hydroxypropyl)pyridine-2-carbonitrile
CID 55293167
5-[2-cyanopropyl(methyl)amino]pyridine-2-carbonitrile
CID 115487373
ethane;methoxymethane;5-methylpyridine-2-carbonitrile
CID 176990243
ethane;2-methyl-5-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of ethane;5-propan-2-ylpyridine-2-carbonitrile?
The IUPAC name of ethane;5-propan-2-ylpyridine-2-carbonitrile (CID 145459140) is ethane;5-propan-2-ylpyridine-2-carbonitrile.
What is the SMILES notation for ethane;5-propan-2-ylpyridine-2-carbonitrile?
The canonical SMILES for ethane;5-propan-2-ylpyridine-2-carbonitrile is CC.CC(C)c1ccc(C#N)nc1.
What is the InChIKey of ethane;5-propan-2-ylpyridine-2-carbonitrile?
The InChIKey is PILJBQVXMLGBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C2H6/c1-7(2)8-3-4-9(5-10)11-6-8;1-2/h3-4,6-7H,1-2H3;1-2H3.
What are the key properties of ethane;5-propan-2-ylpyridine-2-carbonitrile?
ethane;5-propan-2-ylpyridine-2-carbonitrile has a molecular weight of 176.26 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-propan-2-ylpyridine-2-carbonitrile is sourced from PubChem (CID 145459140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).