3-(3-methyl-4-pyridinyl)prop-2-enenitrile

C9H8N2 — CID 169483055

IUPAC3-(3-methyl-4-pyridinyl)prop-2-enenitrile
SMILESCc1cnccc1C=CC#N
InChIInChI=1S/C9H8N2/c1-8-7-11-6-4-9(8)3-2-5-10/h2-4,6-7H,1H3
InChIKeyLIKFGTNBTMANHM-UHFFFAOYSA-N
MW144.18 g/mol
LogP1.93
Rot. Bonds1

About 3-(3-methyl-4-pyridinyl)prop-2-enenitrile

3-(3-methyl-4-pyridinyl)prop-2-enenitrile (PubChem CID 169483055) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 3-(3-methyl-4-pyridinyl)prop-2-enenitrile.

Molecular Properties

Compound Name3-(3-methyl-4-pyridinyl)prop-2-enenitrile
PubChem CID169483055
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name3-(3-methyl-4-pyridinyl)prop-2-enenitrile
SMILESCc1cnccc1C=CC#N
InChIInChI=1S/C9H8N2/c1-8-7-11-6-4-9(8)3-2-5-10/h2-4,6-7H,1H3
InChIKeyLIKFGTNBTMANHM-UHFFFAOYSA-N
XLogP1.93
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(dimethylamino)-3-pyridinyl]prop-2-enenitrile
CID 174891679
3-isoquinolin-8-ylprop-2-enenitrile
CID 169483627
3-(4-fluoro-2-methylphenyl)prop-2-enenitrile
CID 54550703
(Z)-3-pyridin-3-ylprop-2-enenitrile
CID 10441725
3-(2-fluoro-3-methylphenyl)prop-2-enenitrile
CID 169483088
3-(5,6-diamino-4-methyl-3-pyridinyl)prop-2-enenitrile
CID 169483562
3-(2-chloro-3-fluoro-4-pyridinyl)prop-2-enenitrile
CID 169484375
methoxyethane;3-methylpyridine-4-carbaldehyde
CID 143796958
(E)-3-(6-methyl-3-pyridinyl)prop-2-enenitrile
CID 104823202
4-[(E)-2-hydroxyethenyl]pyridine-3-carbonitrile
CID 135432173
2-methyl-2-(3-methyl-4-pyridinyl)propanenitrile
CID 130544380
3-(2-iodophenyl)prop-2-enenitrile
CID 5013093

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-4-pyridinyl)prop-2-enenitrile?
The IUPAC name of 3-(3-methyl-4-pyridinyl)prop-2-enenitrile (CID 169483055) is 3-(3-methyl-4-pyridinyl)prop-2-enenitrile.
What is the SMILES notation for 3-(3-methyl-4-pyridinyl)prop-2-enenitrile?
The canonical SMILES for 3-(3-methyl-4-pyridinyl)prop-2-enenitrile is Cc1cnccc1C=CC#N.
What is the InChIKey of 3-(3-methyl-4-pyridinyl)prop-2-enenitrile?
The InChIKey is LIKFGTNBTMANHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-8-7-11-6-4-9(8)3-2-5-10/h2-4,6-7H,1H3.
What are the key properties of 3-(3-methyl-4-pyridinyl)prop-2-enenitrile?
3-(3-methyl-4-pyridinyl)prop-2-enenitrile has a molecular weight of 144.18 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-4-pyridinyl)prop-2-enenitrile is sourced from PubChem (CID 169483055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).