(5-pyridin-3-ylthiophen-2-yl) formate

C10H7NO2S — CID 174545765

IUPAC(5-pyridin-3-ylthiophen-2-yl) formate
SMILESO=COc1ccc(-c2cccnc2)s1
InChIInChI=1S/C10H7NO2S/c12-7-13-10-4-3-9(14-10)8-2-1-5-11-6-8/h1-7H
InChIKeyLICQBIZSJHXBMX-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.35
Rot. Bonds3

About (5-pyridin-3-ylthiophen-2-yl) formate

(5-pyridin-3-ylthiophen-2-yl) formate (PubChem CID 174545765) has the molecular formula C10H7NO2S and a molecular weight of 205.24 g/mol. Its IUPAC name is (5-pyridin-3-ylthiophen-2-yl) formate.

Molecular Properties

Compound Name(5-pyridin-3-ylthiophen-2-yl) formate
PubChem CID174545765
Molecular FormulaC10H7NO2S
Molecular Weight205.24 g/mol
Exact Mass205.02
IUPAC Name(5-pyridin-3-ylthiophen-2-yl) formate
SMILESO=COc1ccc(-c2cccnc2)s1
InChIInChI=1S/C10H7NO2S/c12-7-13-10-4-3-9(14-10)8-2-1-5-11-6-8/h1-7H
InChIKeyLICQBIZSJHXBMX-UHFFFAOYSA-N
XLogP2.35
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-pyridin-3-ylthiophen-2-yl) formate?
The IUPAC name of (5-pyridin-3-ylthiophen-2-yl) formate (CID 174545765) is (5-pyridin-3-ylthiophen-2-yl) formate.
What is the SMILES notation for (5-pyridin-3-ylthiophen-2-yl) formate?
The canonical SMILES for (5-pyridin-3-ylthiophen-2-yl) formate is O=COc1ccc(-c2cccnc2)s1.
What is the InChIKey of (5-pyridin-3-ylthiophen-2-yl) formate?
The InChIKey is LICQBIZSJHXBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S/c12-7-13-10-4-3-9(14-10)8-2-1-5-11-6-8/h1-7H.
What are the key properties of (5-pyridin-3-ylthiophen-2-yl) formate?
(5-pyridin-3-ylthiophen-2-yl) formate has a molecular weight of 205.24 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-pyridin-3-ylthiophen-2-yl) formate is sourced from PubChem (CID 174545765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).