4-(2,3-dimethylbut-3-en-2-yl)pyridine-2-carbonitrile

C12H14N2 — CID 10607601

IUPAC4-(2,3-dimethylbut-3-en-2-yl)pyridine-2-carbonitrile
SMILESC=C(C)C(C)(C)c1ccnc(C#N)c1
InChIInChI=1S/C12H14N2/c1-9(2)12(3,4)10-5-6-14-11(7-10)8-13/h5-7H,1H2,2-4H3
InChIKeyQNJJEHWYYAAKQA-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.81
Rot. Bonds2

About 4-(2,3-dimethylbut-3-en-2-yl)pyridine-2-carbonitrile

4-(2,3-dimethylbut-3-en-2-yl)pyridine-2-carbonitrile (PubChem CID 10607601) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 4-(2,3-dimethylbut-3-en-2-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(2,3-dimethylbut-3-en-2-yl)pyridine-2-carbonitrile
PubChem CID10607601
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name4-(2,3-dimethylbut-3-en-2-yl)pyridine-2-carbonitrile
SMILESC=C(C)C(C)(C)c1ccnc(C#N)c1
InChIInChI=1S/C12H14N2/c1-9(2)12(3,4)10-5-6-14-11(7-10)8-13/h5-7H,1H2,2-4H3
InChIKeyQNJJEHWYYAAKQA-UHFFFAOYSA-N
XLogP2.81
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylpropanoyl 2-cyanopyridine-4-carboxylate
CID 163217228
4-(4-tert-butylanilino)pyridine-2-carbonitrile
CID 62926534
4-(methylamino)pyridine-2-carbonitrile
CID 45079907
4-dimethylphosphorylpyridine-2-carbonitrile
CID 146155917
4-methanidylpyridine-2-carbonitrile;yttrium
CID 169217720
4-[(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]pyridine-2-carbonitrile
CID 157025905
4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile
CID 103829289
4-[2-(tert-butylamino)acetyl]pyridine-2-carbonitrile
CID 170645061
4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile
CID 112587627
4-[(4-tert-butylphenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63884637
3-[(2-cyano-4-pyridinyl)amino]-2,2,3-trimethylbutanoic acid
CID 65265896
2-cyano-N-propan-2-ylpyridine-4-carboxamide
CID 112520008

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbut-3-en-2-yl)pyridine-2-carbonitrile?
The IUPAC name of 4-(2,3-dimethylbut-3-en-2-yl)pyridine-2-carbonitrile (CID 10607601) is 4-(2,3-dimethylbut-3-en-2-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(2,3-dimethylbut-3-en-2-yl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(2,3-dimethylbut-3-en-2-yl)pyridine-2-carbonitrile is C=C(C)C(C)(C)c1ccnc(C#N)c1.
What is the InChIKey of 4-(2,3-dimethylbut-3-en-2-yl)pyridine-2-carbonitrile?
The InChIKey is QNJJEHWYYAAKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9(2)12(3,4)10-5-6-14-11(7-10)8-13/h5-7H,1H2,2-4H3.
What are the key properties of 4-(2,3-dimethylbut-3-en-2-yl)pyridine-2-carbonitrile?
4-(2,3-dimethylbut-3-en-2-yl)pyridine-2-carbonitrile has a molecular weight of 186.26 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbut-3-en-2-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 10607601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).