(Z)-2,3-bis(6-methyl-2-pyridinyl)prop-2-enenitrile

C15H13N3 — CID 102248794

IUPAC(Z)-2,3-bis(6-methyl-2-pyridinyl)prop-2-enenitrile
SMILESCc1cccc(/C=C(\C#N)c2cccc(C)n2)n1
InChIInChI=1S/C15H13N3/c1-11-5-3-7-14(17-11)9-13(10-16)15-8-4-6-12(2)18-15/h3-9H,1-2H3/b13-9+
InChIKeyXUFBMGJDGNTHEG-UKTHLTGXSA-N
MW235.29 g/mol
LogP3.16
Rot. Bonds2

About (Z)-2,3-bis(6-methyl-2-pyridinyl)prop-2-enenitrile

(Z)-2,3-bis(6-methyl-2-pyridinyl)prop-2-enenitrile (PubChem CID 102248794) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is (Z)-2,3-bis(6-methyl-2-pyridinyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2,3-bis(6-methyl-2-pyridinyl)prop-2-enenitrile
PubChem CID102248794
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name(Z)-2,3-bis(6-methyl-2-pyridinyl)prop-2-enenitrile
SMILESCc1cccc(/C=C(\C#N)c2cccc(C)n2)n1
InChIInChI=1S/C15H13N3/c1-11-5-3-7-14(17-11)9-13(10-16)15-8-4-6-12(2)18-15/h3-9H,1-2H3/b13-9+
InChIKeyXUFBMGJDGNTHEG-UKTHLTGXSA-N
XLogP3.16
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.16
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-bis(6-methyl-2-pyridinyl)prop-2-enenitrile?
The IUPAC name of (Z)-2,3-bis(6-methyl-2-pyridinyl)prop-2-enenitrile (CID 102248794) is (Z)-2,3-bis(6-methyl-2-pyridinyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2,3-bis(6-methyl-2-pyridinyl)prop-2-enenitrile?
The canonical SMILES for (Z)-2,3-bis(6-methyl-2-pyridinyl)prop-2-enenitrile is Cc1cccc(/C=C(\C#N)c2cccc(C)n2)n1.
What is the InChIKey of (Z)-2,3-bis(6-methyl-2-pyridinyl)prop-2-enenitrile?
The InChIKey is XUFBMGJDGNTHEG-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H13N3/c1-11-5-3-7-14(17-11)9-13(10-16)15-8-4-6-12(2)18-15/h3-9H,1-2H3/b13-9+.
What are the key properties of (Z)-2,3-bis(6-methyl-2-pyridinyl)prop-2-enenitrile?
(Z)-2,3-bis(6-methyl-2-pyridinyl)prop-2-enenitrile has a molecular weight of 235.29 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-bis(6-methyl-2-pyridinyl)prop-2-enenitrile is sourced from PubChem (CID 102248794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).