5-(3-methylbutan-2-yl)pyridine-2-carbonitrile

C11H14N2 — CID 118301745

IUPAC5-(3-methylbutan-2-yl)pyridine-2-carbonitrile
SMILESCC(C)C(C)c1ccc(C#N)nc1
InChIInChI=1S/C11H14N2/c1-8(2)9(3)10-4-5-11(6-12)13-7-10/h4-5,7-9H,1-3H3
InChIKeyVMIQQNXOOICDIT-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.71
Rot. Bonds2

About 5-(3-methylbutan-2-yl)pyridine-2-carbonitrile

5-(3-methylbutan-2-yl)pyridine-2-carbonitrile (PubChem CID 118301745) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 5-(3-methylbutan-2-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(3-methylbutan-2-yl)pyridine-2-carbonitrile
PubChem CID118301745
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name5-(3-methylbutan-2-yl)pyridine-2-carbonitrile
SMILESCC(C)C(C)c1ccc(C#N)nc1
InChIInChI=1S/C11H14N2/c1-8(2)9(3)10-4-5-11(6-12)13-7-10/h4-5,7-9H,1-3H3
InChIKeyVMIQQNXOOICDIT-UHFFFAOYSA-N
XLogP2.71
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;5-propan-2-ylpyridine-2-carbonitrile
CID 145459140
4-[(2R)-3-methylbutan-2-yl]benzonitrile
CID 89060357
5-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile
CID 115487439
5-propan-2-ylsulfanylpyridine-2-carbonitrile
CID 115489961
5-(1-amino-3-hydroxypropyl)pyridine-2-carbonitrile
CID 55293167
5-(3-bromo-1,2-dihydroxypropyl)pyridine-2-carbonitrile
CID 171859635
ethane;5-methylpyridine-2-carbonitrile
CID 143546182
2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile
CID 167549650
5-[(1R)-1-aminobut-3-enyl]pyridine-2-carbonitrile
CID 131097026
5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carbonitrile
CID 79839810
5-(butan-2-ylamino)pyridine-2-carbonitrile
CID 79839653
5-(3-amino-2-methylpropyl)pyridine-2-carbonitrile
CID 83874430

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutan-2-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-(3-methylbutan-2-yl)pyridine-2-carbonitrile (CID 118301745) is 5-(3-methylbutan-2-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(3-methylbutan-2-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(3-methylbutan-2-yl)pyridine-2-carbonitrile is CC(C)C(C)c1ccc(C#N)nc1.
What is the InChIKey of 5-(3-methylbutan-2-yl)pyridine-2-carbonitrile?
The InChIKey is VMIQQNXOOICDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-8(2)9(3)10-4-5-11(6-12)13-7-10/h4-5,7-9H,1-3H3.
What are the key properties of 5-(3-methylbutan-2-yl)pyridine-2-carbonitrile?
5-(3-methylbutan-2-yl)pyridine-2-carbonitrile has a molecular weight of 174.25 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutan-2-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 118301745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).