2-(2-phenylethenyl)pyridine isocyanate

C14H11N2O- — CID 86740696

IUPAC2-(2-phenylethenyl)pyridine isocyanate
SMILESC(=Cc1ccccn1)c1ccccc1.[N-]=C=O
InChIInChI=1S/C13H11N.CNO/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13;2-1-3/h1-11H;/q;-1
InChIKeySLCKIQHTYFTJAB-UHFFFAOYSA-N
MW223.25 g/mol
LogP3.14
Rot. Bonds2

About 2-(2-phenylethenyl)pyridine isocyanate

2-(2-phenylethenyl)pyridine isocyanate (PubChem CID 86740696) has the molecular formula C14H11N2O- and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-(2-phenylethenyl)pyridine isocyanate.

Molecular Properties

Compound Name2-(2-phenylethenyl)pyridine isocyanate
PubChem CID86740696
Molecular FormulaC14H11N2O-
Molecular Weight223.25 g/mol
Exact Mass223.09
IUPAC Name2-(2-phenylethenyl)pyridine isocyanate
SMILESC(=Cc1ccccn1)c1ccccc1.[N-]=C=O
InChIInChI=1S/C13H11N.CNO/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13;2-1-3/h1-11H;/q;-1
InChIKeySLCKIQHTYFTJAB-UHFFFAOYSA-N
XLogP3.14
TPSA52.26 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

2-(2-phenylethenyl)pyridine;pyridine
CID 174553806
2-[2-[2-(2-phenylethenyl)phenyl]ethenyl]pyridine
CID 154926324
2-[2-(4-phenylphenyl)ethenyl]pyridine
CID 66775790
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine
CID 5076981
4-(2-pyridin-2-ylethenyl)phenol
CID 4736878
(3Z)-4-pyridin-2-ylbuta-1,3-dien-1-one
CID 45079584
3-[(E)-2-pyridin-2-ylethenyl]benzonitrile
CID 18763276
2-[(E)-2-(3-methylphenyl)ethenyl]pyridine
CID 5463079
tetrakis(benzene-1,2-diol);bis(2-[(E)-2-pyridin-2-ylethenyl]pyridine)
CID 139185658
2,3-bis[(E)-2-phenylethenyl]pyrazine
CID 15654808
2-ethenylpyridine;2-phenylethenesulfonic acid
CID 88722678

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethenyl)pyridine isocyanate?
The IUPAC name of 2-(2-phenylethenyl)pyridine isocyanate (CID 86740696) is 2-(2-phenylethenyl)pyridine isocyanate.
What is the SMILES notation for 2-(2-phenylethenyl)pyridine isocyanate?
The canonical SMILES for 2-(2-phenylethenyl)pyridine isocyanate is C(=Cc1ccccn1)c1ccccc1.[N-]=C=O.
What is the InChIKey of 2-(2-phenylethenyl)pyridine isocyanate?
The InChIKey is SLCKIQHTYFTJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N.CNO/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13;2-1-3/h1-11H;/q;-1.
What are the key properties of 2-(2-phenylethenyl)pyridine isocyanate?
2-(2-phenylethenyl)pyridine isocyanate has a molecular weight of 223.25 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethenyl)pyridine isocyanate is sourced from PubChem (CID 86740696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).