2-bromo-1-[(2,5-dichlorophenyl)methyl]pyrrole

C11H8BrCl2N — CID 142735286

IUPAC2-bromo-1-[(2,5-dichlorophenyl)methyl]pyrrole
SMILESClc1ccc(Cl)c(Cn2cccc2Br)c1
InChIInChI=1S/C11H8BrCl2N/c12-11-2-1-5-15(11)7-8-6-9(13)3-4-10(8)14/h1-6H,7H2
InChIKeyYUIICKBXDMRUGR-UHFFFAOYSA-N
MW305.00 g/mol
LogP4.61
Rot. Bonds2

About 2-bromo-1-[(2,5-dichlorophenyl)methyl]pyrrole

2-bromo-1-[(2,5-dichlorophenyl)methyl]pyrrole (PubChem CID 142735286) has the molecular formula C11H8BrCl2N and a molecular weight of 305.00 g/mol. Its IUPAC name is 2-bromo-1-[(2,5-dichlorophenyl)methyl]pyrrole.

Molecular Properties

Compound Name2-bromo-1-[(2,5-dichlorophenyl)methyl]pyrrole
PubChem CID142735286
Molecular FormulaC11H8BrCl2N
Molecular Weight305.00 g/mol
Exact Mass302.92
IUPAC Name2-bromo-1-[(2,5-dichlorophenyl)methyl]pyrrole
SMILESClc1ccc(Cl)c(Cn2cccc2Br)c1
InChIInChI=1S/C11H8BrCl2N/c12-11-2-1-5-15(11)7-8-6-9(13)3-4-10(8)14/h1-6H,7H2
InChIKeyYUIICKBXDMRUGR-UHFFFAOYSA-N
XLogP4.61
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.00
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-1-[(2,5-dichlorophenyl)methyl]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-[(2,5-dichlorophenyl)methyl]pyridin-2-one
CID 65317704
5-bromo-1-[(2,5-dichlorophenyl)methyl]pyrimidine-2,4-dione
CID 65321201
3-bromo-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one
CID 114760860
1-[(2,5-dichlorophenyl)methyl]-3-methylimidazol-2-one
CID 116624451
[1-[(2,5-dichlorophenyl)methyl]indol-3-yl]methanol
CID 66399928
1-[(2,5-dichlorophenyl)methyl]-7-nitroindole
CID 114936220
4-bromo-1-[(2,5-dichlorophenyl)methyl]pyrazol-3-amine
CID 65317657
1-[(2,5-dichlorophenyl)methyl]pyrazol-3-amine
CID 42281976
7-bromo-1-[(2,5-dichlorophenyl)methyl]indole-2,3-dione
CID 65317495
1-[1-[(2,4-dichlorophenyl)methyl]pyrrol-2-yl]ethanol
CID 79107600
1-[(2,5-dichlorophenyl)methyl]indole-6-carboxylic acid
CID 65317256
8-[(2,5-dichlorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 66557401

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[(2,5-dichlorophenyl)methyl]pyrrole?
The IUPAC name of 2-bromo-1-[(2,5-dichlorophenyl)methyl]pyrrole (CID 142735286) is 2-bromo-1-[(2,5-dichlorophenyl)methyl]pyrrole.
What is the SMILES notation for 2-bromo-1-[(2,5-dichlorophenyl)methyl]pyrrole?
The canonical SMILES for 2-bromo-1-[(2,5-dichlorophenyl)methyl]pyrrole is Clc1ccc(Cl)c(Cn2cccc2Br)c1.
What is the InChIKey of 2-bromo-1-[(2,5-dichlorophenyl)methyl]pyrrole?
The InChIKey is YUIICKBXDMRUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2N/c12-11-2-1-5-15(11)7-8-6-9(13)3-4-10(8)14/h1-6H,7H2.
What are the key properties of 2-bromo-1-[(2,5-dichlorophenyl)methyl]pyrrole?
2-bromo-1-[(2,5-dichlorophenyl)methyl]pyrrole has a molecular weight of 305.00 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[(2,5-dichlorophenyl)methyl]pyrrole is sourced from PubChem (CID 142735286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).