pyridin-3-yloxymethyl formate

C7H7NO3 — CID 89313948

IUPACpyridin-3-yloxymethyl formate
SMILESO=COCOc1cccnc1
InChIInChI=1S/C7H7NO3/c9-5-10-6-11-7-2-1-3-8-4-7/h1-5H,6H2
InChIKeyGLYKMLNAVHAZRH-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.59
Rot. Bonds4

About pyridin-3-yloxymethyl formate

pyridin-3-yloxymethyl formate (PubChem CID 89313948) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is pyridin-3-yloxymethyl formate.

Molecular Properties

Compound Namepyridin-3-yloxymethyl formate
PubChem CID89313948
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Namepyridin-3-yloxymethyl formate
SMILESO=COCOc1cccnc1
InChIInChI=1S/C7H7NO3/c9-5-10-6-11-7-2-1-3-8-4-7/h1-5H,6H2
InChIKeyGLYKMLNAVHAZRH-UHFFFAOYSA-N
XLogP0.59
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(3-phenoxypropoxy)pyridine
CID 86195847
2-(4-oxoazepin-3-yl)ethyl formate;hydrobromide
CID 174306416
3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]pyridine
CID 112558733
5-(2-pyridin-3-yloxyethyl)-1H-pyrazole-4-carbaldehyde
CID 96610735
2-pyridin-3-yloxyethyl prop-2-enoate
CID 59502785
pyridin-3-yl hypochlorite
CID 91164948
3-(2-chloroprop-2-enoxy)pyridine
CID 112558627
3-octadecoxypyridine
CID 175800212
N-(2-hydroxyphenyl)-4-pyridin-3-yloxybutanamide
CID 110487034
N-ethyl-4-pyridin-3-yloxybutan-1-amine
CID 62451744
2-(4-pyridin-3-ylphenoxy)acetaldehyde
CID 90125264
2-(pyridin-3-yloxymethyl)-1,3-oxazole
CID 54003976

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yloxymethyl formate?
The IUPAC name of pyridin-3-yloxymethyl formate (CID 89313948) is pyridin-3-yloxymethyl formate.
What is the SMILES notation for pyridin-3-yloxymethyl formate?
The canonical SMILES for pyridin-3-yloxymethyl formate is O=COCOc1cccnc1.
What is the InChIKey of pyridin-3-yloxymethyl formate?
The InChIKey is GLYKMLNAVHAZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c9-5-10-6-11-7-2-1-3-8-4-7/h1-5H,6H2.
What are the key properties of pyridin-3-yloxymethyl formate?
pyridin-3-yloxymethyl formate has a molecular weight of 153.14 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yloxymethyl formate is sourced from PubChem (CID 89313948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).