1-(3,5-dichlorophenyl)pyrrole

C10H7Cl2N — CID 2776881

IUPAC1-(3,5-dichlorophenyl)pyrrole
SMILESClc1cc(Cl)cc(-n2cccc2)c1
InChIInChI=1S/C10H7Cl2N/c11-8-5-9(12)7-10(6-8)13-3-1-2-4-13/h1-7H
InChIKeyIEWRGYRCGQVEMJ-UHFFFAOYSA-N
MW212.08 g/mol
LogP3.78
Rot. Bonds1

About 1-(3,5-dichlorophenyl)pyrrole

1-(3,5-dichlorophenyl)pyrrole (PubChem CID 2776881) has the molecular formula C10H7Cl2N and a molecular weight of 212.08 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)pyrrole.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)pyrrole
PubChem CID2776881
Molecular FormulaC10H7Cl2N
Molecular Weight212.08 g/mol
Exact Mass211.00
IUPAC Name1-(3,5-dichlorophenyl)pyrrole
SMILESClc1cc(Cl)cc(-n2cccc2)c1
InChIInChI=1S/C10H7Cl2N/c11-8-5-9(12)7-10(6-8)13-3-1-2-4-13/h1-7H
InChIKeyIEWRGYRCGQVEMJ-UHFFFAOYSA-N
XLogP3.78
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.08
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Phenylpyrrole
CID 12480
1-(4-Chlorophenyl)-1H-pyrrole
CID 272425
N-(4-fluorophenyl)pyrrole
CID 727844
1-(o-Chlorobenzyl)-1H-pyrrole
CID 90240
2-chloro-5-(1H-pyrrol-1-yl)pyridine
CID 16195234
1-(2,4-Difluorophenyl)-1h-pyrrole
CID 164197
1-(3-Chlorophenyl)-1H-pyrrole
CID 272421
2-[1-(2-Chlorophenyl)pyrrol-2-yl]ethanamine
CID 44388886
1-(2-Chloro-6-fluorophenyl)pyrrole
CID 2804446
2-Chloro-1-methylpyridinium
CID 167070
1-(2-fluorophenyl)-1H-pyrrole
CID 2767601
1-(3-Fluorophenyl)pyrrole
CID 4763720

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)pyrrole?
The IUPAC name of 1-(3,5-dichlorophenyl)pyrrole (CID 2776881) is 1-(3,5-dichlorophenyl)pyrrole.
What is the SMILES notation for 1-(3,5-dichlorophenyl)pyrrole?
The canonical SMILES for 1-(3,5-dichlorophenyl)pyrrole is Clc1cc(Cl)cc(-n2cccc2)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)pyrrole?
The InChIKey is IEWRGYRCGQVEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N/c11-8-5-9(12)7-10(6-8)13-3-1-2-4-13/h1-7H.
What are the key properties of 1-(3,5-dichlorophenyl)pyrrole?
1-(3,5-dichlorophenyl)pyrrole has a molecular weight of 212.08 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)pyrrole is sourced from PubChem (CID 2776881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).