pyridin-2-ylmethyl formate

C7H7NO2 — CID 564674

IUPACpyridin-2-ylmethyl formate
SMILESO=COCc1ccccn1
InChIInChI=1S/C7H7NO2/c9-6-10-5-7-3-1-2-4-8-7/h1-4,6H,5H2
InChIKeyIYTAUGFBQPAEGK-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.75
Rot. Bonds3

About pyridin-2-ylmethyl formate

pyridin-2-ylmethyl formate (PubChem CID 564674) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is pyridin-2-ylmethyl formate.

Molecular Properties

Compound Namepyridin-2-ylmethyl formate
PubChem CID564674
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Namepyridin-2-ylmethyl formate
SMILESO=COCc1ccccn1
InChIInChI=1S/C7H7NO2/c9-6-10-5-7-3-1-2-4-8-7/h1-4,6H,5H2
InChIKeyIYTAUGFBQPAEGK-UHFFFAOYSA-N
XLogP0.75
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Piconol
CID 11474
Ethyl 2-pyridinecarboxylate
CID 17307
2-Carbomethoxypyridine
CID 75569
2-Pyridinemethanol, 2-acetate
CID 13881
Pyridin-2-ylmethyl phenylcarbamate
CID 658831
Pyridine-2-methanol 1-oxide
CID 82488
Methyl Picolinimidate
CID 152260
Butyl pyridine-2-carboxylate
CID 79285
2-Pyridinyl-1,3-dioxolane
CID 79773
2-Pyridinylmethyl butyrate
CID 99347
Propionic acid, 2,2-dimethyl-, 2-pyridylmethyl ester
CID 198257
4-Bromo-2-(methoxymethyl)pyridine
CID 58355080

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl formate?
The IUPAC name of pyridin-2-ylmethyl formate (CID 564674) is pyridin-2-ylmethyl formate.
What is the SMILES notation for pyridin-2-ylmethyl formate?
The canonical SMILES for pyridin-2-ylmethyl formate is O=COCc1ccccn1.
What is the InChIKey of pyridin-2-ylmethyl formate?
The InChIKey is IYTAUGFBQPAEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c9-6-10-5-7-3-1-2-4-8-7/h1-4,6H,5H2.
What are the key properties of pyridin-2-ylmethyl formate?
pyridin-2-ylmethyl formate has a molecular weight of 137.14 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl formate is sourced from PubChem (CID 564674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).