3-[3-[(3-fluorophenyl)-hydroxymethyl]-4-pyridinyl]benzonitrile

C19H13FN2O — CID 59205199

IUPAC3-[3-[(3-fluorophenyl)-hydroxymethyl]-4-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2ccncc2C(O)c2cccc(F)c2)c1
InChIInChI=1S/C19H13FN2O/c20-16-6-2-5-15(10-16)19(23)18-12-22-8-7-17(18)14-4-1-3-13(9-14)11-21/h1-10,12,19,23H
InChIKeyQIGQURNCZXGOFJ-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.84
Rot. Bonds3

About 3-[3-[(3-fluorophenyl)-hydroxymethyl]-4-pyridinyl]benzonitrile

3-[3-[(3-fluorophenyl)-hydroxymethyl]-4-pyridinyl]benzonitrile (PubChem CID 59205199) has the molecular formula C19H13FN2O and a molecular weight of 304.32 g/mol. Its IUPAC name is 3-[3-[(3-fluorophenyl)-hydroxymethyl]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-[3-[(3-fluorophenyl)-hydroxymethyl]-4-pyridinyl]benzonitrile
PubChem CID59205199
Molecular FormulaC19H13FN2O
Molecular Weight304.32 g/mol
Exact Mass304.10
IUPAC Name3-[3-[(3-fluorophenyl)-hydroxymethyl]-4-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2ccncc2C(O)c2cccc(F)c2)c1
InChIInChI=1S/C19H13FN2O/c20-16-6-2-5-15(10-16)19(23)18-12-22-8-7-17(18)14-4-1-3-13(9-14)11-21/h1-10,12,19,23H
InChIKeyQIGQURNCZXGOFJ-UHFFFAOYSA-N
XLogP3.84
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-fluorophenyl)-hydroxymethyl]-4-pyridinyl]benzonitrile?
The IUPAC name of 3-[3-[(3-fluorophenyl)-hydroxymethyl]-4-pyridinyl]benzonitrile (CID 59205199) is 3-[3-[(3-fluorophenyl)-hydroxymethyl]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 3-[3-[(3-fluorophenyl)-hydroxymethyl]-4-pyridinyl]benzonitrile?
The canonical SMILES for 3-[3-[(3-fluorophenyl)-hydroxymethyl]-4-pyridinyl]benzonitrile is N#Cc1cccc(-c2ccncc2C(O)c2cccc(F)c2)c1.
What is the InChIKey of 3-[3-[(3-fluorophenyl)-hydroxymethyl]-4-pyridinyl]benzonitrile?
The InChIKey is QIGQURNCZXGOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O/c20-16-6-2-5-15(10-16)19(23)18-12-22-8-7-17(18)14-4-1-3-13(9-14)11-21/h1-10,12,19,23H.
What are the key properties of 3-[3-[(3-fluorophenyl)-hydroxymethyl]-4-pyridinyl]benzonitrile?
3-[3-[(3-fluorophenyl)-hydroxymethyl]-4-pyridinyl]benzonitrile has a molecular weight of 304.32 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-fluorophenyl)-hydroxymethyl]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 59205199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).