phenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone

C24H20N2O2 — CID 69335940

IUPACphenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone
SMILESO=C(c1ccccc1)c1ccccn1.OC(c1ccccc1)c1ccccn1
InChIInChI=1S/C12H11NO.C12H9NO/c2*14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9,12,14H;1-9H
InChIKeyVRMZWVSGOVNIEO-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.48
Rot. Bonds4

About phenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone

phenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone (PubChem CID 69335940) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is phenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone.

Molecular Properties

Compound Namephenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone
PubChem CID69335940
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Namephenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone
SMILESO=C(c1ccccc1)c1ccccn1.OC(c1ccccc1)c1ccccn1
InChIInChI=1S/C12H11NO.C12H9NO/c2*14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9,12,14H;1-9H
InChIKeyVRMZWVSGOVNIEO-UHFFFAOYSA-N
XLogP4.48
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone?
The IUPAC name of phenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone (CID 69335940) is phenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone.
What is the SMILES notation for phenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone?
The canonical SMILES for phenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone is O=C(c1ccccc1)c1ccccn1.OC(c1ccccc1)c1ccccn1.
What is the InChIKey of phenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone?
The InChIKey is VRMZWVSGOVNIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO.C12H9NO/c2*14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9,12,14H;1-9H.
What are the key properties of phenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone?
phenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone has a molecular weight of 368.44 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone is sourced from PubChem (CID 69335940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).