(5-bromo-2-chlorophenyl)-(1H-pyrrol-3-yl)methanol

C11H9BrClNO — CID 63747683

IUPAC(5-bromo-2-chlorophenyl)-(1H-pyrrol-3-yl)methanol
SMILESOC(c1cc[nH]c1)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H9BrClNO/c12-8-1-2-10(13)9(5-8)11(15)7-3-4-14-6-7/h1-6,11,14-15H
InChIKeyYHDORWPZXRXLET-UHFFFAOYSA-N
MW286.56 g/mol
LogP3.51
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-(1H-pyrrol-3-yl)methanol

(5-bromo-2-chlorophenyl)-(1H-pyrrol-3-yl)methanol (PubChem CID 63747683) has the molecular formula C11H9BrClNO and a molecular weight of 286.56 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(1H-pyrrol-3-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(1H-pyrrol-3-yl)methanol
PubChem CID63747683
Molecular FormulaC11H9BrClNO
Molecular Weight286.56 g/mol
Exact Mass284.96
IUPAC Name(5-bromo-2-chlorophenyl)-(1H-pyrrol-3-yl)methanol
SMILESOC(c1cc[nH]c1)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H9BrClNO/c12-8-1-2-10(13)9(5-8)11(15)7-3-4-14-6-7/h1-6,11,14-15H
InChIKeyYHDORWPZXRXLET-UHFFFAOYSA-N
XLogP3.51
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (5-bromo-2-chlorophenyl)-(1H-pyrrol-3-yl)methanol 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-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol
CID 61100202
(5-bromo-2-chlorophenyl)-pyrimidin-5-ylmethanol
CID 115781626
(5-bromo-2-chlorophenyl)-(5-methyl-3-pyridinyl)methanol
CID 115827983
(5-bromo-2-chlorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 115807083
(2,5-dibromophenyl)-(3,4-dichlorophenyl)methanol
CID 63426086
(5-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61082254
(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61100484
(5-bromo-2-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530430
(5-bromo-2-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 63426559
(5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanol
CID 61087673
(5-bromo-2-chlorophenyl)-(2-methylphenyl)methanol
CID 114979219
(3-bromophenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105393805

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(1H-pyrrol-3-yl)methanol?
The IUPAC name of (5-bromo-2-chlorophenyl)-(1H-pyrrol-3-yl)methanol (CID 63747683) is (5-bromo-2-chlorophenyl)-(1H-pyrrol-3-yl)methanol.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(1H-pyrrol-3-yl)methanol?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(1H-pyrrol-3-yl)methanol is OC(c1cc[nH]c1)c1cc(Br)ccc1Cl.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(1H-pyrrol-3-yl)methanol?
The InChIKey is YHDORWPZXRXLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO/c12-8-1-2-10(13)9(5-8)11(15)7-3-4-14-6-7/h1-6,11,14-15H.
What are the key properties of (5-bromo-2-chlorophenyl)-(1H-pyrrol-3-yl)methanol?
(5-bromo-2-chlorophenyl)-(1H-pyrrol-3-yl)methanol has a molecular weight of 286.56 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(1H-pyrrol-3-yl)methanol is sourced from PubChem (CID 63747683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).