2-(2-bromo-4-methoxyphenyl)-1H-pyrrole

C11H10BrNO — CID 167495412

IUPAC2-(2-bromo-4-methoxyphenyl)-1H-pyrrole
SMILESCOc1ccc(-c2ccc[nH]2)c(Br)c1
InChIInChI=1S/C11H10BrNO/c1-14-8-4-5-9(10(12)7-8)11-3-2-6-13-11/h2-7,13H,1H3
InChIKeySPKPXICNTLYBFP-UHFFFAOYSA-N
MW252.11 g/mol
LogP3.45
Rot. Bonds2

About 2-(2-bromo-4-methoxyphenyl)-1H-pyrrole

2-(2-bromo-4-methoxyphenyl)-1H-pyrrole (PubChem CID 167495412) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenyl)-1H-pyrrole
PubChem CID167495412
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name2-(2-bromo-4-methoxyphenyl)-1H-pyrrole
SMILESCOc1ccc(-c2ccc[nH]2)c(Br)c1
InChIInChI=1S/C11H10BrNO/c1-14-8-4-5-9(10(12)7-8)11-3-2-6-13-11/h2-7,13H,1H3
InChIKeySPKPXICNTLYBFP-UHFFFAOYSA-N
XLogP3.45
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-bromo-4-methoxyphenyl)-1H-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

5-methoxy-1-methyl-3-(1H-pyrrol-2-yl)indole
CID 69300712
5-methoxy-2-(1H-pyrrol-2-yl)-1H-indole
CID 66573117
5-methoxy-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 136984514
2-(2-bromo-4-methoxyphenyl)furan
CID 168524550
2-(2-bromo-5-methoxyphenyl)-1H-imidazole
CID 91367579
2-(2-chloro-4,5-dimethoxyphenyl)-1H-pyrrole
CID 175418289
2-(2-bromophenyl)-5-methoxy-1H-indole
CID 131887178
2-(4-methoxyphenyl)-1H-pyrrole;thiophene
CID 174976422
2-(2-bromo-4-methoxyphenyl)-3-methoxycycloprop-2-en-1-one
CID 11119117
2-amino-4-(4-methoxy-2-methylphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 56865030
3-(5-methoxy-1H-indol-3-yl)-1-methyl-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione
CID 23650713
4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-(1H-pyrrol-2-yl)benzenesulfonamide
CID 67760365

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenyl)-1H-pyrrole?
The IUPAC name of 2-(2-bromo-4-methoxyphenyl)-1H-pyrrole (CID 167495412) is 2-(2-bromo-4-methoxyphenyl)-1H-pyrrole.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenyl)-1H-pyrrole?
The canonical SMILES for 2-(2-bromo-4-methoxyphenyl)-1H-pyrrole is COc1ccc(-c2ccc[nH]2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenyl)-1H-pyrrole?
The InChIKey is SPKPXICNTLYBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c1-14-8-4-5-9(10(12)7-8)11-3-2-6-13-11/h2-7,13H,1H3.
What are the key properties of 2-(2-bromo-4-methoxyphenyl)-1H-pyrrole?
2-(2-bromo-4-methoxyphenyl)-1H-pyrrole has a molecular weight of 252.11 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenyl)-1H-pyrrole is sourced from PubChem (CID 167495412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).