[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate

C12H8N2O4 — CID 58130106

IUPAC[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate
SMILESO=COc1ccnc(-c2cc(OC=O)ccn2)c1
InChIInChI=1S/C12H8N2O4/c15-7-17-9-1-3-13-11(5-9)12-6-10(18-8-16)2-4-14-12/h1-8H
InChIKeyRGWSDBJWYVGYRH-UHFFFAOYSA-N
MW244.21 g/mol
LogP1.21
Rot. Bonds5

About [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate

[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate (PubChem CID 58130106) has the molecular formula C12H8N2O4 and a molecular weight of 244.21 g/mol. Its IUPAC name is [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate.

Molecular Properties

Compound Name[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate
PubChem CID58130106
Molecular FormulaC12H8N2O4
Molecular Weight244.21 g/mol
Exact Mass244.05
IUPAC Name[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate
SMILESO=COc1ccnc(-c2cc(OC=O)ccn2)c1
InChIInChI=1S/C12H8N2O4/c15-7-17-9-1-3-13-11(5-9)12-6-10(18-8-16)2-4-14-12/h1-8H
InChIKeyRGWSDBJWYVGYRH-UHFFFAOYSA-N
XLogP1.21
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate?
The IUPAC name of [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate (CID 58130106) is [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate.
What is the SMILES notation for [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate?
The canonical SMILES for [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate is O=COc1ccnc(-c2cc(OC=O)ccn2)c1.
What is the InChIKey of [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate?
The InChIKey is RGWSDBJWYVGYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4/c15-7-17-9-1-3-13-11(5-9)12-6-10(18-8-16)2-4-14-12/h1-8H.
What are the key properties of [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate?
[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate has a molecular weight of 244.21 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate is sourced from PubChem (CID 58130106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).