[2-[(E)-2-phenylethenyl]-3-pyridinyl] cyanate

C14H10N2O — CID 139651849

IUPAC[2-[(E)-2-phenylethenyl]-3-pyridinyl] cyanate
SMILESN#COc1cccnc1/C=C/c1ccccc1
InChIInChI=1S/C14H10N2O/c15-11-17-14-7-4-10-16-13(14)9-8-12-5-2-1-3-6-12/h1-10H/b9-8+
InChIKeyQSVLCCBGJYYYCM-CMDGGOBGSA-N
MW222.25 g/mol
LogP3.11
Rot. Bonds3

About [2-[(E)-2-phenylethenyl]-3-pyridinyl] cyanate

[2-[(E)-2-phenylethenyl]-3-pyridinyl] cyanate (PubChem CID 139651849) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is [2-[(E)-2-phenylethenyl]-3-pyridinyl] cyanate.

Molecular Properties

Compound Name[2-[(E)-2-phenylethenyl]-3-pyridinyl] cyanate
PubChem CID139651849
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name[2-[(E)-2-phenylethenyl]-3-pyridinyl] cyanate
SMILESN#COc1cccnc1/C=C/c1ccccc1
InChIInChI=1S/C14H10N2O/c15-11-17-14-7-4-10-16-13(14)9-8-12-5-2-1-3-6-12/h1-10H/b9-8+
InChIKeyQSVLCCBGJYYYCM-CMDGGOBGSA-N
XLogP3.11
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

2,3-bis[(E)-2-phenylethenyl]pyrazine
CID 15654808
2-[(E)-2-[[2-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]ethylideneamino]guanidine
CID 15049808
[2-(2-phenylethenyl)-3-pyridinyl]methanol
CID 131881267
3-cyanatopyridine-2-carboxylic acid
CID 130739739
4-(3-methoxy-2-pyridinyl)but-3-enenitrile
CID 170799445
(NE)-N-[[2-[(E)-2-phenylethenyl]-3-pyridinyl]methylidene]hydroxylamine
CID 162652329
3-phenyl-2-[2-(3-phenyl-2-pyridinyl)ethenyl]pyridine
CID 170983866
2-(2-phenylethenyl)pyridine isocyanate
CID 86740696
CID 70567885
CID 70567885
CID 70569152
CID 70569152
1-[(E)-2-phenylethenyl]pyrrolo[1,2-a]pyrazine
CID 15662093
tris(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium
CID 156734955

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-2-phenylethenyl]-3-pyridinyl] cyanate?
The IUPAC name of [2-[(E)-2-phenylethenyl]-3-pyridinyl] cyanate (CID 139651849) is [2-[(E)-2-phenylethenyl]-3-pyridinyl] cyanate.
What is the SMILES notation for [2-[(E)-2-phenylethenyl]-3-pyridinyl] cyanate?
The canonical SMILES for [2-[(E)-2-phenylethenyl]-3-pyridinyl] cyanate is N#COc1cccnc1/C=C/c1ccccc1.
What is the InChIKey of [2-[(E)-2-phenylethenyl]-3-pyridinyl] cyanate?
The InChIKey is QSVLCCBGJYYYCM-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H10N2O/c15-11-17-14-7-4-10-16-13(14)9-8-12-5-2-1-3-6-12/h1-10H/b9-8+.
What are the key properties of [2-[(E)-2-phenylethenyl]-3-pyridinyl] cyanate?
[2-[(E)-2-phenylethenyl]-3-pyridinyl] cyanate has a molecular weight of 222.25 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-2-phenylethenyl]-3-pyridinyl] cyanate is sourced from PubChem (CID 139651849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).