2-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carbonitrile

C9H4Cl2N2S — CID 15296964

IUPAC2-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)s2)[nH]c1Cl
InChIInChI=1S/C9H4Cl2N2S/c10-8-2-1-7(14-8)6-3-5(4-12)9(11)13-6/h1-3,13H
InChIKeyMDHBXLIBWFWCEG-UHFFFAOYSA-N
MW243.12 g/mol
LogP3.92
Rot. Bonds1

About 2-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carbonitrile

2-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carbonitrile (PubChem CID 15296964) has the molecular formula C9H4Cl2N2S and a molecular weight of 243.12 g/mol. Its IUPAC name is 2-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carbonitrile
PubChem CID15296964
Molecular FormulaC9H4Cl2N2S
Molecular Weight243.12 g/mol
Exact Mass241.95
IUPAC Name2-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)s2)[nH]c1Cl
InChIInChI=1S/C9H4Cl2N2S/c10-8-2-1-7(14-8)6-3-5(4-12)9(11)13-6/h1-3,13H
InChIKeyMDHBXLIBWFWCEG-UHFFFAOYSA-N
XLogP3.92
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.12
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carbonitrile?
The IUPAC name of 2-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carbonitrile (CID 15296964) is 2-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 2-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 2-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carbonitrile is N#Cc1cc(-c2ccc(Cl)s2)[nH]c1Cl.
What is the InChIKey of 2-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carbonitrile?
The InChIKey is MDHBXLIBWFWCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2N2S/c10-8-2-1-7(14-8)6-3-5(4-12)9(11)13-6/h1-3,13H.
What are the key properties of 2-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carbonitrile?
2-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carbonitrile has a molecular weight of 243.12 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 15296964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).