6-(2-ethoxyethenyl)pyridine-3-carbonitrile

C10H10N2O — CID 69120874

IUPAC6-(2-ethoxyethenyl)pyridine-3-carbonitrile
SMILESCCOC=Cc1ccc(C#N)cn1
InChIInChI=1S/C10H10N2O/c1-2-13-6-5-10-4-3-9(7-11)8-12-10/h3-6,8H,2H2,1H3
InChIKeyIWSDDMDCWOBLEF-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.96
Rot. Bonds3

About 6-(2-ethoxyethenyl)pyridine-3-carbonitrile

6-(2-ethoxyethenyl)pyridine-3-carbonitrile (PubChem CID 69120874) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 6-(2-ethoxyethenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-ethoxyethenyl)pyridine-3-carbonitrile
PubChem CID69120874
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name6-(2-ethoxyethenyl)pyridine-3-carbonitrile
SMILESCCOC=Cc1ccc(C#N)cn1
InChIInChI=1S/C10H10N2O/c1-2-13-6-5-10-4-3-9(7-11)8-12-10/h3-6,8H,2H2,1H3
InChIKeyIWSDDMDCWOBLEF-UHFFFAOYSA-N
XLogP1.96
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

6-[(E)-but-1-enyl]pyridine-3-carbonitrile
CID 154695168
4-(2-ethoxyethenyl)benzonitrile
CID 131843899
6-methylpyridine-3-carbonitrile;propane
CID 142590874
2-chloro-4-(2-ethoxyethenyl)pyrimidine
CID 123191191
6-(2-ethoxyethoxy)pyridine-3-carbonitrile
CID 22939609
5-(2-ethoxyethenyl)pyrimidine
CID 66977990
6-but-2-enoxypyridine-3-carbonitrile
CID 76938235
N-(5-cyano-2-pyridinyl)formamide
CID 64992105
6-(3-ethoxypropylamino)pyridine-3-carbonitrile
CID 24692457
6-[(4-ethoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 47135740
6-(propan-2-yloxymethyl)pyridine-3-carbonitrile
CID 58495606
6-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]pyridine-3-carbonitrile
CID 170805997

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyethenyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(2-ethoxyethenyl)pyridine-3-carbonitrile (CID 69120874) is 6-(2-ethoxyethenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-ethoxyethenyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(2-ethoxyethenyl)pyridine-3-carbonitrile is CCOC=Cc1ccc(C#N)cn1.
What is the InChIKey of 6-(2-ethoxyethenyl)pyridine-3-carbonitrile?
The InChIKey is IWSDDMDCWOBLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-2-13-6-5-10-4-3-9(7-11)8-12-10/h3-6,8H,2H2,1H3.
What are the key properties of 6-(2-ethoxyethenyl)pyridine-3-carbonitrile?
6-(2-ethoxyethenyl)pyridine-3-carbonitrile has a molecular weight of 174.20 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyethenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 69120874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).