[3-(hydroxymethyl)-4-pyridinyl]-(3-isocyanophenyl)methanol

C14H12N2O2 — CID 59205230

IUPAC[3-(hydroxymethyl)-4-pyridinyl]-(3-isocyanophenyl)methanol
SMILES[C-]#[N+]c1cccc(C(O)c2ccncc2CO)c1
InChIInChI=1S/C14H12N2O2/c1-15-12-4-2-3-10(7-12)14(18)13-5-6-16-8-11(13)9-17/h2-8,14,17-18H,9H2
InChIKeyZZXZLJSKCSVXGK-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.21
Rot. Bonds3

About [3-(hydroxymethyl)-4-pyridinyl]-(3-isocyanophenyl)methanol

[3-(hydroxymethyl)-4-pyridinyl]-(3-isocyanophenyl)methanol (PubChem CID 59205230) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is [3-(hydroxymethyl)-4-pyridinyl]-(3-isocyanophenyl)methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-4-pyridinyl]-(3-isocyanophenyl)methanol
PubChem CID59205230
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name[3-(hydroxymethyl)-4-pyridinyl]-(3-isocyanophenyl)methanol
SMILES[C-]#[N+]c1cccc(C(O)c2ccncc2CO)c1
InChIInChI=1S/C14H12N2O2/c1-15-12-4-2-3-10(7-12)14(18)13-5-6-16-8-11(13)9-17/h2-8,14,17-18H,9H2
InChIKeyZZXZLJSKCSVXGK-UHFFFAOYSA-N
XLogP2.21
TPSA57.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.21
H-Bond Donors ≤ 52
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-(hydroxymethyl)-4-pyridinyl]-(3-isocyanophenyl)methanol?
The IUPAC name of [3-(hydroxymethyl)-4-pyridinyl]-(3-isocyanophenyl)methanol (CID 59205230) is [3-(hydroxymethyl)-4-pyridinyl]-(3-isocyanophenyl)methanol.
What is the SMILES notation for [3-(hydroxymethyl)-4-pyridinyl]-(3-isocyanophenyl)methanol?
The canonical SMILES for [3-(hydroxymethyl)-4-pyridinyl]-(3-isocyanophenyl)methanol is [C-]#[N+]c1cccc(C(O)c2ccncc2CO)c1.
What is the InChIKey of [3-(hydroxymethyl)-4-pyridinyl]-(3-isocyanophenyl)methanol?
The InChIKey is ZZXZLJSKCSVXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-15-12-4-2-3-10(7-12)14(18)13-5-6-16-8-11(13)9-17/h2-8,14,17-18H,9H2.
What are the key properties of [3-(hydroxymethyl)-4-pyridinyl]-(3-isocyanophenyl)methanol?
[3-(hydroxymethyl)-4-pyridinyl]-(3-isocyanophenyl)methanol has a molecular weight of 240.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-4-pyridinyl]-(3-isocyanophenyl)methanol is sourced from PubChem (CID 59205230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).