3-bromo-4-(1H-pyrrol-2-yl)phenol

C10H8BrNO — CID 162412006

IUPAC3-bromo-4-(1H-pyrrol-2-yl)phenol
SMILESOc1ccc(-c2ccc[nH]2)c(Br)c1
InChIInChI=1S/C10H8BrNO/c11-9-6-7(13)3-4-8(9)10-2-1-5-12-10/h1-6,12-13H
InChIKeySUSBJBQQWIWIIP-UHFFFAOYSA-N
MW238.08 g/mol
LogP3.15
Rot. Bonds1

About 3-bromo-4-(1H-pyrrol-2-yl)phenol

3-bromo-4-(1H-pyrrol-2-yl)phenol (PubChem CID 162412006) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 3-bromo-4-(1H-pyrrol-2-yl)phenol.

Molecular Properties

Compound Name3-bromo-4-(1H-pyrrol-2-yl)phenol
PubChem CID162412006
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name3-bromo-4-(1H-pyrrol-2-yl)phenol
SMILESOc1ccc(-c2ccc[nH]2)c(Br)c1
InChIInChI=1S/C10H8BrNO/c11-9-6-7(13)3-4-8(9)10-2-1-5-12-10/h1-6,12-13H
InChIKeySUSBJBQQWIWIIP-UHFFFAOYSA-N
XLogP3.15
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 3-bromo-4-(1H-pyrrol-2-yl)phenol 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

2-(2-bromo-4-methoxyphenyl)-1H-pyrrole
CID 167495412
2-(2-bromophenyl)-1H-pyrrole
CID 57266902
3-bromo-4-(2-fluorophenyl)phenol
CID 175958894
2-[3-(1H-pyrrol-2-yl)azulen-1-yl]-1H-pyrrole
CID 11265392
5-(1H-pyrrol-2-yl)naphthalen-1-ol
CID 57034694
2,4-dimethyl-6-(1H-pyrrol-2-yl)phenol
CID 11217685
4-(hydroxymethyl)-2-(1H-pyrrol-2-yl)phenol
CID 174468832
3-(1H-pyrrol-2-yl)cyclobut-3-ene-1,2-dione
CID 90887214
5-bromo-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137001716
3-bromo-4-(difluoromethyl)phenol
CID 84688064
2-(4-tert-butyl-1H-pyrrol-2-yl)-6-(1H-pyrrol-2-yl)phenol
CID 142524653
5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136847715

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(1H-pyrrol-2-yl)phenol?
The IUPAC name of 3-bromo-4-(1H-pyrrol-2-yl)phenol (CID 162412006) is 3-bromo-4-(1H-pyrrol-2-yl)phenol.
What is the SMILES notation for 3-bromo-4-(1H-pyrrol-2-yl)phenol?
The canonical SMILES for 3-bromo-4-(1H-pyrrol-2-yl)phenol is Oc1ccc(-c2ccc[nH]2)c(Br)c1.
What is the InChIKey of 3-bromo-4-(1H-pyrrol-2-yl)phenol?
The InChIKey is SUSBJBQQWIWIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c11-9-6-7(13)3-4-8(9)10-2-1-5-12-10/h1-6,12-13H.
What are the key properties of 3-bromo-4-(1H-pyrrol-2-yl)phenol?
3-bromo-4-(1H-pyrrol-2-yl)phenol has a molecular weight of 238.08 g/mol, XLogP of 3.15, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(1H-pyrrol-2-yl)phenol is sourced from PubChem (CID 162412006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).