4-[hydroxy-(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile

C23H16N2O — CID 25129466

IUPAC4-[hydroxy-(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile
SMILESN#Cc1ccc(C(O)c2cc3ccccc3cc2-c2cccnc2)cc1
InChIInChI=1S/C23H16N2O/c24-14-16-7-9-17(10-8-16)23(26)22-13-19-5-2-1-4-18(19)12-21(22)20-6-3-11-25-15-20/h1-13,15,23,26H
InChIKeyPHJJAUMSHLNUPO-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.86
Rot. Bonds3

About 4-[hydroxy-(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile

4-[hydroxy-(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile (PubChem CID 25129466) has the molecular formula C23H16N2O and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[hydroxy-(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[hydroxy-(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile
PubChem CID25129466
Molecular FormulaC23H16N2O
Molecular Weight336.39 g/mol
Exact Mass336.13
IUPAC Name4-[hydroxy-(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile
SMILESN#Cc1ccc(C(O)c2cc3ccccc3cc2-c2cccnc2)cc1
InChIInChI=1S/C23H16N2O/c24-14-16-7-9-17(10-8-16)23(26)22-13-19-5-2-1-4-18(19)12-21(22)20-6-3-11-25-15-20/h1-13,15,23,26H
InChIKeyPHJJAUMSHLNUPO-UHFFFAOYSA-N
XLogP4.86
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy-(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile?
The IUPAC name of 4-[hydroxy-(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile (CID 25129466) is 4-[hydroxy-(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[hydroxy-(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile?
The canonical SMILES for 4-[hydroxy-(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile is N#Cc1ccc(C(O)c2cc3ccccc3cc2-c2cccnc2)cc1.
What is the InChIKey of 4-[hydroxy-(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile?
The InChIKey is PHJJAUMSHLNUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O/c24-14-16-7-9-17(10-8-16)23(26)22-13-19-5-2-1-4-18(19)12-21(22)20-6-3-11-25-15-20/h1-13,15,23,26H.
What are the key properties of 4-[hydroxy-(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile?
4-[hydroxy-(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile has a molecular weight of 336.39 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy-(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile is sourced from PubChem (CID 25129466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).