2-(3-chlorophenyl)-3H-pyrrole

C10H8ClN — CID 157390265

IUPAC2-(3-chlorophenyl)-3H-pyrrole
SMILESClc1cccc(C2=NC=CC2)c1
InChIInChI=1S/C10H8ClN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1-4,6-7H,5H2
InChIKeyBLXPQUQEVQINFQ-UHFFFAOYSA-N
MW177.63 g/mol
LogP3.05
Rot. Bonds1

About 2-(3-chlorophenyl)-3H-pyrrole

2-(3-chlorophenyl)-3H-pyrrole (PubChem CID 157390265) has the molecular formula C10H8ClN and a molecular weight of 177.63 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3H-pyrrole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3H-pyrrole
PubChem CID157390265
Molecular FormulaC10H8ClN
Molecular Weight177.63 g/mol
Exact Mass177.03
IUPAC Name2-(3-chlorophenyl)-3H-pyrrole
SMILESClc1cccc(C2=NC=CC2)c1
InChIInChI=1S/C10H8ClN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1-4,6-7H,5H2
InChIKeyBLXPQUQEVQINFQ-UHFFFAOYSA-N
XLogP3.05
TPSA12.36 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 ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3-chlorophenyl)-3,4-dihydro-2H-pyrrole
CID 15496703
2-(3-chlorophenyl)-4,5-dimethyl-3H-pyrrole
CID 158338449
4-(3-chlorophenyl)-5H-1,3-oxazol-2-one
CID 162720035
4-(3-chlorophenyl)-5-methyl-3H-pyrrole
CID 118683231
5-(3-chlorophenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 13365909
(2S)-5-(3-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole
CID 139079674
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
2-chloro-1,3-bis(3-chlorophenyl)benzene
CID 54080795
5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione
CID 132588453
3-chloro-2-(3-chlorophenyl)-1H-pyrrole
CID 175142678
5-(3-chlorophenyl)-3-ethyl-1,2-oxazole
CID 143435495
1,3-dichlorobenzene;trihydrofluoride
CID 172846672

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3H-pyrrole?
The IUPAC name of 2-(3-chlorophenyl)-3H-pyrrole (CID 157390265) is 2-(3-chlorophenyl)-3H-pyrrole.
What is the SMILES notation for 2-(3-chlorophenyl)-3H-pyrrole?
The canonical SMILES for 2-(3-chlorophenyl)-3H-pyrrole is Clc1cccc(C2=NC=CC2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3H-pyrrole?
The InChIKey is BLXPQUQEVQINFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1-4,6-7H,5H2.
What are the key properties of 2-(3-chlorophenyl)-3H-pyrrole?
2-(3-chlorophenyl)-3H-pyrrole has a molecular weight of 177.63 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3H-pyrrole is sourced from PubChem (CID 157390265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).