3-(4-bromo-2-chlorophenyl)-1H-indol-2-ol

C14H9BrClNO — CID 141018369

IUPAC3-(4-bromo-2-chlorophenyl)-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1-c1ccc(Br)cc1Cl
InChIInChI=1S/C14H9BrClNO/c15-8-5-6-9(11(16)7-8)13-10-3-1-2-4-12(10)17-14(13)18/h1-7,17-18H
InChIKeyMUCYSBMSPADRRE-UHFFFAOYSA-N
MW322.59 g/mol
LogP4.96
Rot. Bonds1

About 3-(4-bromo-2-chlorophenyl)-1H-indol-2-ol

3-(4-bromo-2-chlorophenyl)-1H-indol-2-ol (PubChem CID 141018369) has the molecular formula C14H9BrClNO and a molecular weight of 322.59 g/mol. Its IUPAC name is 3-(4-bromo-2-chlorophenyl)-1H-indol-2-ol.

Molecular Properties

Compound Name3-(4-bromo-2-chlorophenyl)-1H-indol-2-ol
PubChem CID141018369
Molecular FormulaC14H9BrClNO
Molecular Weight322.59 g/mol
Exact Mass320.96
IUPAC Name3-(4-bromo-2-chlorophenyl)-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1-c1ccc(Br)cc1Cl
InChIInChI=1S/C14H9BrClNO/c15-8-5-6-9(11(16)7-8)13-10-3-1-2-4-12(10)17-14(13)18/h1-7,17-18H
InChIKeyMUCYSBMSPADRRE-UHFFFAOYSA-N
XLogP4.96
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Indirubin deriv. 8a
CID 135398521
Indirubin deriv. 9a
CID 135434956
(2''Z-3''E)-6-Bromoindirubin-3''-[O-(2-hydroxyethyl)-oxime]
CID 135897877
(2''Z-3''E)-6-Bromoindirubin-3''-[O-(2-bromoethyl)-oxime]
CID 135897906
GSK-3 Inhibitor X
CID 136218974
(3Z)-3-{[(4-chlorobenzyl)amino]methylene}-1,3-dihydro-2H-indol-2-one
CID 2256113
3-[benzimidazol-2-ylidene-(2,4-dichlorophenyl)methyl]-1H-indol-2-ol
CID 136118710
3-[benzimidazol-2-ylidene(phenyl)methyl]-5-bromo-1H-indol-2-ol
CID 136118718
Sdccgsbi-0086756.P003
CID 135440369
3-[benzimidazol-2-ylidene(phenyl)methyl]-6-bromo-1H-indol-2-ol
CID 136118719
3-[benzimidazol-2-ylidene(phenyl)methyl]-7-bromo-1H-indol-2-ol
CID 136118720
5-bromo-3-[(4-chlorophenyl)diazenyl]-1H-indol-2-ol
CID 135824361

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-chlorophenyl)-1H-indol-2-ol?
The IUPAC name of 3-(4-bromo-2-chlorophenyl)-1H-indol-2-ol (CID 141018369) is 3-(4-bromo-2-chlorophenyl)-1H-indol-2-ol.
What is the SMILES notation for 3-(4-bromo-2-chlorophenyl)-1H-indol-2-ol?
The canonical SMILES for 3-(4-bromo-2-chlorophenyl)-1H-indol-2-ol is Oc1[nH]c2ccccc2c1-c1ccc(Br)cc1Cl.
What is the InChIKey of 3-(4-bromo-2-chlorophenyl)-1H-indol-2-ol?
The InChIKey is MUCYSBMSPADRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClNO/c15-8-5-6-9(11(16)7-8)13-10-3-1-2-4-12(10)17-14(13)18/h1-7,17-18H.
What are the key properties of 3-(4-bromo-2-chlorophenyl)-1H-indol-2-ol?
3-(4-bromo-2-chlorophenyl)-1H-indol-2-ol has a molecular weight of 322.59 g/mol, XLogP of 4.96, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-chlorophenyl)-1H-indol-2-ol is sourced from PubChem (CID 141018369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).