[3-[hydroxy(phenyl)methyl]-4-pyridinyl]-(3-isocyanophenyl)methanone

C20H14N2O2 — CID 59205187

IUPAC[3-[hydroxy(phenyl)methyl]-4-pyridinyl]-(3-isocyanophenyl)methanone
SMILES[C-]#[N+]c1cccc(C(=O)c2ccncc2C(O)c2ccccc2)c1
InChIInChI=1S/C20H14N2O2/c1-21-16-9-5-8-15(12-16)20(24)17-10-11-22-13-18(17)19(23)14-6-3-2-4-7-14/h2-13,19,23H
InChIKeyZVSAVBBMKUIVOU-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.95
Rot. Bonds4

About [3-[hydroxy(phenyl)methyl]-4-pyridinyl]-(3-isocyanophenyl)methanone

[3-[hydroxy(phenyl)methyl]-4-pyridinyl]-(3-isocyanophenyl)methanone (PubChem CID 59205187) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is [3-[hydroxy(phenyl)methyl]-4-pyridinyl]-(3-isocyanophenyl)methanone.

Molecular Properties

Compound Name[3-[hydroxy(phenyl)methyl]-4-pyridinyl]-(3-isocyanophenyl)methanone
PubChem CID59205187
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name[3-[hydroxy(phenyl)methyl]-4-pyridinyl]-(3-isocyanophenyl)methanone
SMILES[C-]#[N+]c1cccc(C(=O)c2ccncc2C(O)c2ccccc2)c1
InChIInChI=1S/C20H14N2O2/c1-21-16-9-5-8-15(12-16)20(24)17-10-11-22-13-18(17)19(23)14-6-3-2-4-7-14/h2-13,19,23H
InChIKeyZVSAVBBMKUIVOU-UHFFFAOYSA-N
XLogP3.95
TPSA54.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[hydroxy(phenyl)methyl]-4-pyridinyl]-(3-isocyanophenyl)methanone?
The IUPAC name of [3-[hydroxy(phenyl)methyl]-4-pyridinyl]-(3-isocyanophenyl)methanone (CID 59205187) is [3-[hydroxy(phenyl)methyl]-4-pyridinyl]-(3-isocyanophenyl)methanone.
What is the SMILES notation for [3-[hydroxy(phenyl)methyl]-4-pyridinyl]-(3-isocyanophenyl)methanone?
The canonical SMILES for [3-[hydroxy(phenyl)methyl]-4-pyridinyl]-(3-isocyanophenyl)methanone is [C-]#[N+]c1cccc(C(=O)c2ccncc2C(O)c2ccccc2)c1.
What is the InChIKey of [3-[hydroxy(phenyl)methyl]-4-pyridinyl]-(3-isocyanophenyl)methanone?
The InChIKey is ZVSAVBBMKUIVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c1-21-16-9-5-8-15(12-16)20(24)17-10-11-22-13-18(17)19(23)14-6-3-2-4-7-14/h2-13,19,23H.
What are the key properties of [3-[hydroxy(phenyl)methyl]-4-pyridinyl]-(3-isocyanophenyl)methanone?
[3-[hydroxy(phenyl)methyl]-4-pyridinyl]-(3-isocyanophenyl)methanone has a molecular weight of 314.34 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[hydroxy(phenyl)methyl]-4-pyridinyl]-(3-isocyanophenyl)methanone is sourced from PubChem (CID 59205187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).