3-(2,5-dichlorothiophen-3-yl)pyridine

C9H5Cl2NS — CID 59590431

IUPAC3-(2,5-dichlorothiophen-3-yl)pyridine
SMILESClc1cc(-c2cccnc2)c(Cl)s1
InChIInChI=1S/C9H5Cl2NS/c10-8-4-7(9(11)13-8)6-2-1-3-12-5-6/h1-5H
InChIKeyIREJLCMOXVWXKN-UHFFFAOYSA-N
MW230.12 g/mol
LogP4.12
Rot. Bonds1

About 3-(2,5-dichlorothiophen-3-yl)pyridine

3-(2,5-dichlorothiophen-3-yl)pyridine (PubChem CID 59590431) has the molecular formula C9H5Cl2NS and a molecular weight of 230.12 g/mol. Its IUPAC name is 3-(2,5-dichlorothiophen-3-yl)pyridine.

Molecular Properties

Compound Name3-(2,5-dichlorothiophen-3-yl)pyridine
PubChem CID59590431
Molecular FormulaC9H5Cl2NS
Molecular Weight230.12 g/mol
Exact Mass228.95
IUPAC Name3-(2,5-dichlorothiophen-3-yl)pyridine
SMILESClc1cc(-c2cccnc2)c(Cl)s1
InChIInChI=1S/C9H5Cl2NS/c10-8-4-7(9(11)13-8)6-2-1-3-12-5-6/h1-5H
InChIKeyIREJLCMOXVWXKN-UHFFFAOYSA-N
XLogP4.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.12
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorothiophen-3-yl)pyridine?
The IUPAC name of 3-(2,5-dichlorothiophen-3-yl)pyridine (CID 59590431) is 3-(2,5-dichlorothiophen-3-yl)pyridine.
What is the SMILES notation for 3-(2,5-dichlorothiophen-3-yl)pyridine?
The canonical SMILES for 3-(2,5-dichlorothiophen-3-yl)pyridine is Clc1cc(-c2cccnc2)c(Cl)s1.
What is the InChIKey of 3-(2,5-dichlorothiophen-3-yl)pyridine?
The InChIKey is IREJLCMOXVWXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NS/c10-8-4-7(9(11)13-8)6-2-1-3-12-5-6/h1-5H.
What are the key properties of 3-(2,5-dichlorothiophen-3-yl)pyridine?
3-(2,5-dichlorothiophen-3-yl)pyridine has a molecular weight of 230.12 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorothiophen-3-yl)pyridine is sourced from PubChem (CID 59590431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).