2,3-dipyridin-4-ylprop-2-enenitrile

C13H9N3 — CID 3390949

IUPAC2,3-dipyridin-4-ylprop-2-enenitrile
SMILESN#CC(=Cc1ccncc1)c1ccncc1
InChIInChI=1S/C13H9N3/c14-10-13(12-3-7-16-8-4-12)9-11-1-5-15-6-2-11/h1-9H
InChIKeyCUSOMNKCPGAKBP-UHFFFAOYSA-N
MW207.24 g/mol
LogP2.54
Rot. Bonds2

About 2,3-dipyridin-4-ylprop-2-enenitrile

2,3-dipyridin-4-ylprop-2-enenitrile (PubChem CID 3390949) has the molecular formula C13H9N3 and a molecular weight of 207.24 g/mol. Its IUPAC name is 2,3-dipyridin-4-ylprop-2-enenitrile.

Molecular Properties

Compound Name2,3-dipyridin-4-ylprop-2-enenitrile
PubChem CID3390949
Molecular FormulaC13H9N3
Molecular Weight207.24 g/mol
Exact Mass207.08
IUPAC Name2,3-dipyridin-4-ylprop-2-enenitrile
SMILESN#CC(=Cc1ccncc1)c1ccncc1
InChIInChI=1S/C13H9N3/c14-10-13(12-3-7-16-8-4-12)9-11-1-5-15-6-2-11/h1-9H
InChIKeyCUSOMNKCPGAKBP-UHFFFAOYSA-N
XLogP2.54
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(4-chlorophenyl)-2-pyridin-4-ylprop-2-enenitrile
CID 132529295
(Z)-2-pyridin-3-yl-3-pyridin-4-ylprop-2-enenitrile
CID 19707387
3-(2-fluoro-4-pyridinyl)-2-pyridin-4-ylprop-2-enenitrile
CID 140837743
(Z)-3-(3,5-ditert-butylphenyl)-2-pyridin-4-ylprop-2-enenitrile
CID 22904113
(Z)-3-(3,4-dimethoxyphenyl)-2-pyridin-4-ylprop-2-enenitrile
CID 132529297
(Z)-2-bromo-3-pyridin-4-ylprop-2-enenitrile
CID 13092350
(Z)-3-pyridin-4-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enenitrile
CID 177455891
3-(4-bromophenyl)-2-[4-[2-(4-bromophenyl)-1-cyanoethenyl]phenyl]prop-2-enenitrile
CID 4166227
2,3-bis(4-chlorophenyl)prop-2-enenitrile
CID 19419
4-[(Z)-2-(4-carboxyphenyl)-2-cyanoethenyl]benzoic acid
CID 6256221
(E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile
CID 6450896
(Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile
CID 122394128

Frequently Asked Questions

What is the IUPAC name of 2,3-dipyridin-4-ylprop-2-enenitrile?
The IUPAC name of 2,3-dipyridin-4-ylprop-2-enenitrile (CID 3390949) is 2,3-dipyridin-4-ylprop-2-enenitrile.
What is the SMILES notation for 2,3-dipyridin-4-ylprop-2-enenitrile?
The canonical SMILES for 2,3-dipyridin-4-ylprop-2-enenitrile is N#CC(=Cc1ccncc1)c1ccncc1.
What is the InChIKey of 2,3-dipyridin-4-ylprop-2-enenitrile?
The InChIKey is CUSOMNKCPGAKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3/c14-10-13(12-3-7-16-8-4-12)9-11-1-5-15-6-2-11/h1-9H.
What are the key properties of 2,3-dipyridin-4-ylprop-2-enenitrile?
2,3-dipyridin-4-ylprop-2-enenitrile has a molecular weight of 207.24 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dipyridin-4-ylprop-2-enenitrile is sourced from PubChem (CID 3390949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).