2H-pyridin-1-yl formate

C6H7NO2 — CID 142894547

IUPAC2H-pyridin-1-yl formate
SMILESO=CON1C=CC=CC1
InChIInChI=1S/C6H7NO2/c8-6-9-7-4-2-1-3-5-7/h1-4,6H,5H2
InChIKeyUCLDMYLLXGBBOP-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.46
Rot. Bonds2

About 2H-pyridin-1-yl formate

2H-pyridin-1-yl formate (PubChem CID 142894547) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 2H-pyridin-1-yl formate.

Molecular Properties

Compound Name2H-pyridin-1-yl formate
PubChem CID142894547
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name2H-pyridin-1-yl formate
SMILESO=CON1C=CC=CC1
InChIInChI=1S/C6H7NO2/c8-6-9-7-4-2-1-3-5-7/h1-4,6H,5H2
InChIKeyUCLDMYLLXGBBOP-UHFFFAOYSA-N
XLogP0.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2H-pyridin-1-yl formate?
The IUPAC name of 2H-pyridin-1-yl formate (CID 142894547) is 2H-pyridin-1-yl formate.
What is the SMILES notation for 2H-pyridin-1-yl formate?
The canonical SMILES for 2H-pyridin-1-yl formate is O=CON1C=CC=CC1.
What is the InChIKey of 2H-pyridin-1-yl formate?
The InChIKey is UCLDMYLLXGBBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c8-6-9-7-4-2-1-3-5-7/h1-4,6H,5H2.
What are the key properties of 2H-pyridin-1-yl formate?
2H-pyridin-1-yl formate has a molecular weight of 125.13 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyridin-1-yl formate is sourced from PubChem (CID 142894547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).