6-[(2-phenylanilino)methyl]pyridin-3-ol

C18H16N2O — CID 79781629

IUPAC6-[(2-phenylanilino)methyl]pyridin-3-ol
SMILESOc1ccc(CNc2ccccc2-c2ccccc2)nc1
InChIInChI=1S/C18H16N2O/c21-16-11-10-15(19-13-16)12-20-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-11,13,20-21H,12H2
InChIKeyINSCTZJKGSKZNN-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.07
Rot. Bonds4

About 6-[(2-phenylanilino)methyl]pyridin-3-ol

6-[(2-phenylanilino)methyl]pyridin-3-ol (PubChem CID 79781629) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-[(2-phenylanilino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[(2-phenylanilino)methyl]pyridin-3-ol
PubChem CID79781629
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name6-[(2-phenylanilino)methyl]pyridin-3-ol
SMILESOc1ccc(CNc2ccccc2-c2ccccc2)nc1
InChIInChI=1S/C18H16N2O/c21-16-11-10-15(19-13-16)12-20-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-11,13,20-21H,12H2
InChIKeyINSCTZJKGSKZNN-UHFFFAOYSA-N
XLogP4.07
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-phenylanilino)methyl]pyridin-3-ol?
The IUPAC name of 6-[(2-phenylanilino)methyl]pyridin-3-ol (CID 79781629) is 6-[(2-phenylanilino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-[(2-phenylanilino)methyl]pyridin-3-ol?
The canonical SMILES for 6-[(2-phenylanilino)methyl]pyridin-3-ol is Oc1ccc(CNc2ccccc2-c2ccccc2)nc1.
What is the InChIKey of 6-[(2-phenylanilino)methyl]pyridin-3-ol?
The InChIKey is INSCTZJKGSKZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c21-16-11-10-15(19-13-16)12-20-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-11,13,20-21H,12H2.
What are the key properties of 6-[(2-phenylanilino)methyl]pyridin-3-ol?
6-[(2-phenylanilino)methyl]pyridin-3-ol has a molecular weight of 276.34 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-phenylanilino)methyl]pyridin-3-ol is sourced from PubChem (CID 79781629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).