6-[2-(3-fluorophenyl)-2-hydroxyethenyl]pyridine-3-carbonitrile

C14H9FN2O — CID 139623117

IUPAC6-[2-(3-fluorophenyl)-2-hydroxyethenyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(C=C(O)c2cccc(F)c2)nc1
InChIInChI=1S/C14H9FN2O/c15-12-3-1-2-11(6-12)14(18)7-13-5-4-10(8-16)9-17-13/h1-7,9,18H
InChIKeyVCNTZARZIBTLGD-UHFFFAOYSA-N
MW240.24 g/mol
LogP3.15
Rot. Bonds2

About 6-[2-(3-fluorophenyl)-2-hydroxyethenyl]pyridine-3-carbonitrile

6-[2-(3-fluorophenyl)-2-hydroxyethenyl]pyridine-3-carbonitrile (PubChem CID 139623117) has the molecular formula C14H9FN2O and a molecular weight of 240.24 g/mol. Its IUPAC name is 6-[2-(3-fluorophenyl)-2-hydroxyethenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(3-fluorophenyl)-2-hydroxyethenyl]pyridine-3-carbonitrile
PubChem CID139623117
Molecular FormulaC14H9FN2O
Molecular Weight240.24 g/mol
Exact Mass240.07
IUPAC Name6-[2-(3-fluorophenyl)-2-hydroxyethenyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(C=C(O)c2cccc(F)c2)nc1
InChIInChI=1S/C14H9FN2O/c15-12-3-1-2-11(6-12)14(18)7-13-5-4-10(8-16)9-17-13/h1-7,9,18H
InChIKeyVCNTZARZIBTLGD-UHFFFAOYSA-N
XLogP3.15
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluorophenyl)pyrimidine-5-carbonitrile
CID 45073377
N-(4-cyanophenyl)-3-fluorobenzamide
CID 1122145
N'-(4-cyanophenyl)-3-fluorobenzenecarboximidamide
CID 71349171
5,6-bis(3-fluorophenyl)pyridine-3-carbonitrile
CID 46313539
3-fluorobenzonitrile;hydrochloride
CID 140590350
5-cyano-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 63718583
(E)-2-(3-fluorophenyl)but-2-enenitrile
CID 131998621
5-[1-(3-fluorophenyl)ethenyl]-2-methylpyrimidine
CID 177142882
ethane;3-fluorobenzonitrile
CID 143604554
3-ethoxy-4-[2-(3-fluorophenyl)-2-oxoethoxy]benzonitrile
CID 8676993
6-(2-ethoxyethenyl)pyridine-3-carbonitrile
CID 69120874
6-[3-(3-fluorophenyl)propylamino]pyridine-3-carbonitrile
CID 133294986

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-fluorophenyl)-2-hydroxyethenyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(3-fluorophenyl)-2-hydroxyethenyl]pyridine-3-carbonitrile (CID 139623117) is 6-[2-(3-fluorophenyl)-2-hydroxyethenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(3-fluorophenyl)-2-hydroxyethenyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(3-fluorophenyl)-2-hydroxyethenyl]pyridine-3-carbonitrile is N#Cc1ccc(C=C(O)c2cccc(F)c2)nc1.
What is the InChIKey of 6-[2-(3-fluorophenyl)-2-hydroxyethenyl]pyridine-3-carbonitrile?
The InChIKey is VCNTZARZIBTLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O/c15-12-3-1-2-11(6-12)14(18)7-13-5-4-10(8-16)9-17-13/h1-7,9,18H.
What are the key properties of 6-[2-(3-fluorophenyl)-2-hydroxyethenyl]pyridine-3-carbonitrile?
6-[2-(3-fluorophenyl)-2-hydroxyethenyl]pyridine-3-carbonitrile has a molecular weight of 240.24 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-fluorophenyl)-2-hydroxyethenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 139623117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).