6-bromo-5-methyl-3-nitroso-1H-indol-2-ol

C9H7BrN2O2 — CID 675822

IUPAC6-bromo-5-methyl-3-nitroso-1H-indol-2-ol
SMILESCc1cc2c(N=O)c(O)[nH]c2cc1Br
InChIInChI=1S/C9H7BrN2O2/c1-4-2-5-7(3-6(4)10)11-9(13)8(5)12-14/h2-3,11,13H,1H3
InChIKeyPRLRDYMAUXDWTL-UHFFFAOYSA-N
MW255.07 g/mol
LogP3.34
Rot. Bonds1

About 6-bromo-5-methyl-3-nitroso-1H-indol-2-ol

6-bromo-5-methyl-3-nitroso-1H-indol-2-ol (PubChem CID 675822) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 6-bromo-5-methyl-3-nitroso-1H-indol-2-ol.

Molecular Properties

Compound Name6-bromo-5-methyl-3-nitroso-1H-indol-2-ol
PubChem CID675822
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name6-bromo-5-methyl-3-nitroso-1H-indol-2-ol
SMILESCc1cc2c(N=O)c(O)[nH]c2cc1Br
InChIInChI=1S/C9H7BrN2O2/c1-4-2-5-7(3-6(4)10)11-9(13)8(5)12-14/h2-3,11,13H,1H3
InChIKeyPRLRDYMAUXDWTL-UHFFFAOYSA-N
XLogP3.34
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methyl-3-nitroso-1H-indol-2-ol?
The IUPAC name of 6-bromo-5-methyl-3-nitroso-1H-indol-2-ol (CID 675822) is 6-bromo-5-methyl-3-nitroso-1H-indol-2-ol.
What is the SMILES notation for 6-bromo-5-methyl-3-nitroso-1H-indol-2-ol?
The canonical SMILES for 6-bromo-5-methyl-3-nitroso-1H-indol-2-ol is Cc1cc2c(N=O)c(O)[nH]c2cc1Br.
What is the InChIKey of 6-bromo-5-methyl-3-nitroso-1H-indol-2-ol?
The InChIKey is PRLRDYMAUXDWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c1-4-2-5-7(3-6(4)10)11-9(13)8(5)12-14/h2-3,11,13H,1H3.
What are the key properties of 6-bromo-5-methyl-3-nitroso-1H-indol-2-ol?
6-bromo-5-methyl-3-nitroso-1H-indol-2-ol has a molecular weight of 255.07 g/mol, XLogP of 3.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methyl-3-nitroso-1H-indol-2-ol is sourced from PubChem (CID 675822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).