2-bromo-1,3-dimethylindol-7-ol

C10H10BrNO — CID 117127883

IUPAC2-bromo-1,3-dimethylindol-7-ol
SMILESCc1c(Br)n(C)c2c(O)cccc12
InChIInChI=1S/C10H10BrNO/c1-6-7-4-3-5-8(13)9(7)12(2)10(6)11/h3-5,13H,1-2H3
InChIKeyLNNIBHPFENYYSK-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.95
Rot. Bonds

About 2-bromo-1,3-dimethylindol-7-ol

2-bromo-1,3-dimethylindol-7-ol (PubChem CID 117127883) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 2-bromo-1,3-dimethylindol-7-ol.

Molecular Properties

Compound Name2-bromo-1,3-dimethylindol-7-ol
PubChem CID117127883
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name2-bromo-1,3-dimethylindol-7-ol
SMILESCc1c(Br)n(C)c2c(O)cccc12
InChIInChI=1S/C10H10BrNO/c1-6-7-4-3-5-8(13)9(7)12(2)10(6)11/h3-5,13H,1-2H3
InChIKeyLNNIBHPFENYYSK-UHFFFAOYSA-N
XLogP2.95
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-8-hydroxy-1-methylquinolin-2-one
CID 115023405
2-bromo-3,7-dimethyl-1-propan-2-ylindole
CID 117127858
2,7-dibromo-1-ethyl-3-methylindole
CID 117127877
1,2,3-trimethylindole-7-carboxylic acid
CID 83963607
3-bromo-7-fluoro-1,2-dimethylindole
CID 82279918
3-(7-bromo-2,3-dimethylindol-1-yl)propanoic acid
CID 82502352
1-ethyl-3-(hydroxymethyl)indol-7-ol
CID 117182594
2-chloro-1,3,7-trimethylindole
CID 117127854
2-methylbenzene-1,3-diol
CID 139200813
5-hydroxy-1,4-dimethylpyrrolo[3,2-b]indole-2-carboxylic acid
CID 115007397
3-(5-amino-1,2-oxazol-3-yl)-1,2-dimethylindol-7-ol
CID 115108539
3-(hydroxymethyl)-1-propan-2-ylindol-7-ol
CID 117182602

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-dimethylindol-7-ol?
The IUPAC name of 2-bromo-1,3-dimethylindol-7-ol (CID 117127883) is 2-bromo-1,3-dimethylindol-7-ol.
What is the SMILES notation for 2-bromo-1,3-dimethylindol-7-ol?
The canonical SMILES for 2-bromo-1,3-dimethylindol-7-ol is Cc1c(Br)n(C)c2c(O)cccc12.
What is the InChIKey of 2-bromo-1,3-dimethylindol-7-ol?
The InChIKey is LNNIBHPFENYYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-6-7-4-3-5-8(13)9(7)12(2)10(6)11/h3-5,13H,1-2H3.
What are the key properties of 2-bromo-1,3-dimethylindol-7-ol?
2-bromo-1,3-dimethylindol-7-ol has a molecular weight of 240.10 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-dimethylindol-7-ol is sourced from PubChem (CID 117127883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).