1-(2-chlorophenyl)pyrrole

C10H8ClN — CID 4715200

IUPAC1-(2-chlorophenyl)pyrrole
SMILESClc1ccccc1-n1cccc1
InChIInChI=1S/C10H8ClN/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h1-8H
InChIKeyYNSZCXYIEIKMGI-UHFFFAOYSA-N
MW177.63 g/mol
LogP3.13
Rot. Bonds1

About 1-(2-chlorophenyl)pyrrole

1-(2-chlorophenyl)pyrrole (PubChem CID 4715200) has the molecular formula C10H8ClN and a molecular weight of 177.63 g/mol. Its IUPAC name is 1-(2-chlorophenyl)pyrrole.

Molecular Properties

Compound Name1-(2-chlorophenyl)pyrrole
PubChem CID4715200
Molecular FormulaC10H8ClN
Molecular Weight177.63 g/mol
Exact Mass177.03
IUPAC Name1-(2-chlorophenyl)pyrrole
SMILESClc1ccccc1-n1cccc1
InChIInChI=1S/C10H8ClN/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h1-8H
InChIKeyYNSZCXYIEIKMGI-UHFFFAOYSA-N
XLogP3.13
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)pyrrole?
The IUPAC name of 1-(2-chlorophenyl)pyrrole (CID 4715200) is 1-(2-chlorophenyl)pyrrole.
What is the SMILES notation for 1-(2-chlorophenyl)pyrrole?
The canonical SMILES for 1-(2-chlorophenyl)pyrrole is Clc1ccccc1-n1cccc1.
What is the InChIKey of 1-(2-chlorophenyl)pyrrole?
The InChIKey is YNSZCXYIEIKMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h1-8H.
What are the key properties of 1-(2-chlorophenyl)pyrrole?
1-(2-chlorophenyl)pyrrole has a molecular weight of 177.63 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)pyrrole is sourced from PubChem (CID 4715200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).