7-bromo-5-chloro-2-methyl-1H-indol-6-ol

C9H7BrClNO — CID 84710225

IUPAC7-bromo-5-chloro-2-methyl-1H-indol-6-ol
SMILESCc1cc2cc(Cl)c(O)c(Br)c2[nH]1
InChIInChI=1S/C9H7BrClNO/c1-4-2-5-3-6(11)9(13)7(10)8(5)12-4/h2-3,12-13H,1H3
InChIKeyJPVWOLUELMTPPY-UHFFFAOYSA-N
MW260.52 g/mol
LogP3.60
Rot. Bonds

About 7-bromo-5-chloro-2-methyl-1H-indol-6-ol

7-bromo-5-chloro-2-methyl-1H-indol-6-ol (PubChem CID 84710225) has the molecular formula C9H7BrClNO and a molecular weight of 260.52 g/mol. Its IUPAC name is 7-bromo-5-chloro-2-methyl-1H-indol-6-ol.

Molecular Properties

Compound Name7-bromo-5-chloro-2-methyl-1H-indol-6-ol
PubChem CID84710225
Molecular FormulaC9H7BrClNO
Molecular Weight260.52 g/mol
Exact Mass258.94
IUPAC Name7-bromo-5-chloro-2-methyl-1H-indol-6-ol
SMILESCc1cc2cc(Cl)c(O)c(Br)c2[nH]1
InChIInChI=1S/C9H7BrClNO/c1-4-2-5-3-6(11)9(13)7(10)8(5)12-4/h2-3,12-13H,1H3
InChIKeyJPVWOLUELMTPPY-UHFFFAOYSA-N
XLogP3.60
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.52
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 70229243
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5-bromo-6,7-difluoro-2-methyl-1H-indole
CID 118989892
5-bromo-2-methyl-1H-indol-6-ol
CID 175486563
3-bromo-4-chloro-2,6-dimethylphenol
CID 86152759
5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 123135474
2,3-dichloro-5-methyl-1H-pyrrole
CID 18918860
5,6-dibromo-2-methyl-1H-indole
CID 130290572
4,6-dichloro-2-methylpyridin-3-ol;ethane
CID 142310785
(2,7-dimethyl-1H-indol-5-yl)oxy hypoiodite
CID 142164589
7-chloro-6-methoxy-2-methyl-1H-indole
CID 130063664
3,6-dichloro-4-methylbenzene-1,2-diol
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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-chloro-2-methyl-1H-indol-6-ol?
The IUPAC name of 7-bromo-5-chloro-2-methyl-1H-indol-6-ol (CID 84710225) is 7-bromo-5-chloro-2-methyl-1H-indol-6-ol.
What is the SMILES notation for 7-bromo-5-chloro-2-methyl-1H-indol-6-ol?
The canonical SMILES for 7-bromo-5-chloro-2-methyl-1H-indol-6-ol is Cc1cc2cc(Cl)c(O)c(Br)c2[nH]1.
What is the InChIKey of 7-bromo-5-chloro-2-methyl-1H-indol-6-ol?
The InChIKey is JPVWOLUELMTPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClNO/c1-4-2-5-3-6(11)9(13)7(10)8(5)12-4/h2-3,12-13H,1H3.
What are the key properties of 7-bromo-5-chloro-2-methyl-1H-indol-6-ol?
7-bromo-5-chloro-2-methyl-1H-indol-6-ol has a molecular weight of 260.52 g/mol, XLogP of 3.60, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-chloro-2-methyl-1H-indol-6-ol is sourced from PubChem (CID 84710225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).