(6-ethyl-3-pyridinyl) formate

C8H9NO2 — CID 174587869

IUPAC(6-ethyl-3-pyridinyl) formate
SMILESCCc1ccc(OC=O)cn1
InChIInChI=1S/C8H9NO2/c1-2-7-3-4-8(5-9-7)11-6-10/h3-6H,2H2,1H3
InChIKeyCPVANTLTQGOXSG-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.18
Rot. Bonds3

About (6-ethyl-3-pyridinyl) formate

(6-ethyl-3-pyridinyl) formate (PubChem CID 174587869) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is (6-ethyl-3-pyridinyl) formate.

Molecular Properties

Compound Name(6-ethyl-3-pyridinyl) formate
PubChem CID174587869
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name(6-ethyl-3-pyridinyl) formate
SMILESCCc1ccc(OC=O)cn1
InChIInChI=1S/C8H9NO2/c1-2-7-3-4-8(5-9-7)11-6-10/h3-6H,2H2,1H3
InChIKeyCPVANTLTQGOXSG-UHFFFAOYSA-N
XLogP1.18
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.18
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 (6-ethyl-3-pyridinyl) formate?
The IUPAC name of (6-ethyl-3-pyridinyl) formate (CID 174587869) is (6-ethyl-3-pyridinyl) formate.
What is the SMILES notation for (6-ethyl-3-pyridinyl) formate?
The canonical SMILES for (6-ethyl-3-pyridinyl) formate is CCc1ccc(OC=O)cn1.
What is the InChIKey of (6-ethyl-3-pyridinyl) formate?
The InChIKey is CPVANTLTQGOXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-2-7-3-4-8(5-9-7)11-6-10/h3-6H,2H2,1H3.
What are the key properties of (6-ethyl-3-pyridinyl) formate?
(6-ethyl-3-pyridinyl) formate has a molecular weight of 151.16 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-3-pyridinyl) formate is sourced from PubChem (CID 174587869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).