3-chloro-2-nitrothieno[3,2-b]pyridine

C7H3ClN2O2S — CID 164524727

IUPAC3-chloro-2-nitrothieno[3,2-b]pyridine
SMILESO=[N+]([O-])c1sc2cccnc2c1Cl
InChIInChI=1S/C7H3ClN2O2S/c8-5-6-4(2-1-3-9-6)13-7(5)10(11)12/h1-3H
InChIKeyTVEMCBJFGIYGMS-UHFFFAOYSA-N
MW214.63 g/mol
LogP2.86
Rot. Bonds1

About 3-chloro-2-nitrothieno[3,2-b]pyridine

3-chloro-2-nitrothieno[3,2-b]pyridine (PubChem CID 164524727) has the molecular formula C7H3ClN2O2S and a molecular weight of 214.63 g/mol. Its IUPAC name is 3-chloro-2-nitrothieno[3,2-b]pyridine.

Molecular Properties

Compound Name3-chloro-2-nitrothieno[3,2-b]pyridine
PubChem CID164524727
Molecular FormulaC7H3ClN2O2S
Molecular Weight214.63 g/mol
Exact Mass213.96
IUPAC Name3-chloro-2-nitrothieno[3,2-b]pyridine
SMILESO=[N+]([O-])c1sc2cccnc2c1Cl
InChIInChI=1S/C7H3ClN2O2S/c8-5-6-4(2-1-3-9-6)13-7(5)10(11)12/h1-3H
InChIKeyTVEMCBJFGIYGMS-UHFFFAOYSA-N
XLogP2.86
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.63
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-nitrothieno[3,2-b]pyridine?
The IUPAC name of 3-chloro-2-nitrothieno[3,2-b]pyridine (CID 164524727) is 3-chloro-2-nitrothieno[3,2-b]pyridine.
What is the SMILES notation for 3-chloro-2-nitrothieno[3,2-b]pyridine?
The canonical SMILES for 3-chloro-2-nitrothieno[3,2-b]pyridine is O=[N+]([O-])c1sc2cccnc2c1Cl.
What is the InChIKey of 3-chloro-2-nitrothieno[3,2-b]pyridine?
The InChIKey is TVEMCBJFGIYGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN2O2S/c8-5-6-4(2-1-3-9-6)13-7(5)10(11)12/h1-3H.
What are the key properties of 3-chloro-2-nitrothieno[3,2-b]pyridine?
3-chloro-2-nitrothieno[3,2-b]pyridine has a molecular weight of 214.63 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-nitrothieno[3,2-b]pyridine is sourced from PubChem (CID 164524727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).