5-(3-phenylpropoxy)pyridine-2-carbonitrile

C15H14N2O — CID 113320705

IUPAC5-(3-phenylpropoxy)pyridine-2-carbonitrile
SMILESN#Cc1ccc(OCCCc2ccccc2)cn1
InChIInChI=1S/C15H14N2O/c16-11-14-8-9-15(12-17-14)18-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,12H,4,7,10H2
InChIKeyMFRQQTZPKDGVDE-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.96
Rot. Bonds5

About 5-(3-phenylpropoxy)pyridine-2-carbonitrile

5-(3-phenylpropoxy)pyridine-2-carbonitrile (PubChem CID 113320705) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-(3-phenylpropoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(3-phenylpropoxy)pyridine-2-carbonitrile
PubChem CID113320705
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name5-(3-phenylpropoxy)pyridine-2-carbonitrile
SMILESN#Cc1ccc(OCCCc2ccccc2)cn1
InChIInChI=1S/C15H14N2O/c16-11-14-8-9-15(12-17-14)18-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,12H,4,7,10H2
InChIKeyMFRQQTZPKDGVDE-UHFFFAOYSA-N
XLogP2.96
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-phenylmethoxypyridine-2-carbonitrile
CID 15574701
5-(2-phenylethylsulfanyl)pyridine-2-carbonitrile
CID 54542104
5-(3-phenylpropoxy)pyridine-2-carbaldehyde
CID 79794594
5-(4-methylpentoxy)pyridine-2-carbonitrile
CID 115487904
1-[5-(3-phenylpropoxy)-2-pyridinyl]ethanone
CID 83119690
5-[5-[(2-cyano-4-pyridinyl)oxy]pentoxy]pyridine-2-carbonitrile
CID 147688494
[5-(4-phenylbutoxy)-2-pyridinyl]methanol
CID 114333938
5-[3-(2-amino-4-bromophenyl)propoxy]pyridine-2-carbonitrile
CID 175156018
2-(3-phenylpropoxy)naphthalene
CID 13432986
2-nitro-5-(3-phenylpropoxy)benzonitrile
CID 115501528
2-fluoro-4-(4-phenylbutoxy)benzonitrile
CID 114335058
5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]pyridine-2-carbonitrile
CID 177365476

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylpropoxy)pyridine-2-carbonitrile?
The IUPAC name of 5-(3-phenylpropoxy)pyridine-2-carbonitrile (CID 113320705) is 5-(3-phenylpropoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(3-phenylpropoxy)pyridine-2-carbonitrile?
The canonical SMILES for 5-(3-phenylpropoxy)pyridine-2-carbonitrile is N#Cc1ccc(OCCCc2ccccc2)cn1.
What is the InChIKey of 5-(3-phenylpropoxy)pyridine-2-carbonitrile?
The InChIKey is MFRQQTZPKDGVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c16-11-14-8-9-15(12-17-14)18-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,12H,4,7,10H2.
What are the key properties of 5-(3-phenylpropoxy)pyridine-2-carbonitrile?
5-(3-phenylpropoxy)pyridine-2-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylpropoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 113320705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).