(3-amino-7-bromo-1H-indol-2-yl) carbamate

C9H8BrN3O2 — CID 68808355

IUPAC(3-amino-7-bromo-1H-indol-2-yl) carbamate
SMILESNC(=O)Oc1[nH]c2c(Br)cccc2c1N
InChIInChI=1S/C9H8BrN3O2/c10-5-3-1-2-4-6(11)8(13-7(4)5)15-9(12)14/h1-3,13H,11H2,(H2,12,14)
InChIKeyOBUCEJNCEVMPIJ-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.97
Rot. Bonds1

About (3-amino-7-bromo-1H-indol-2-yl) carbamate

(3-amino-7-bromo-1H-indol-2-yl) carbamate (PubChem CID 68808355) has the molecular formula C9H8BrN3O2 and a molecular weight of 270.09 g/mol. Its IUPAC name is (3-amino-7-bromo-1H-indol-2-yl) carbamate.

Molecular Properties

Compound Name(3-amino-7-bromo-1H-indol-2-yl) carbamate
PubChem CID68808355
Molecular FormulaC9H8BrN3O2
Molecular Weight270.09 g/mol
Exact Mass268.98
IUPAC Name(3-amino-7-bromo-1H-indol-2-yl) carbamate
SMILESNC(=O)Oc1[nH]c2c(Br)cccc2c1N
InChIInChI=1S/C9H8BrN3O2/c10-5-3-1-2-4-6(11)8(13-7(4)5)15-9(12)14/h1-3,13H,11H2,(H2,12,14)
InChIKeyOBUCEJNCEVMPIJ-UHFFFAOYSA-N
XLogP1.97
TPSA94.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(7-bromo-1H-indol-3-yl) carbamate
CID 175391103
(5-amino-1-bromonaphthalen-2-yl) carbamate
CID 172817145
8-bromo-4-oxo-1H-quinoline-3-carboxamide
CID 151043662
(4-bromo-1H-benzimidazol-2-yl) carbamate
CID 175381527
(3-amino-6-bromo-4-fluoro-1H-indol-2-yl) carbamate
CID 70921836
7-bromo-3-(3-hydroxypropyl)-1H-indole-2-carboxylic acid
CID 158742788
(4-bromo-1H-indol-2-yl) ethyl carbonate
CID 129158532
8-bromo-4-methyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 84642958
[3-(4-methoxyphenoxy)-1H-indol-2-yl] carbamate
CID 68809748
8-bromo-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 10467319
(3-bromo-2-tert-butylphenyl) carbamate
CID 153406266
ethyl 8-bromo-4,9-dioxo-1H-cyclohepta[b]pyridine-3-carboxylate
CID 13121315

Frequently Asked Questions

What is the IUPAC name of (3-amino-7-bromo-1H-indol-2-yl) carbamate?
The IUPAC name of (3-amino-7-bromo-1H-indol-2-yl) carbamate (CID 68808355) is (3-amino-7-bromo-1H-indol-2-yl) carbamate.
What is the SMILES notation for (3-amino-7-bromo-1H-indol-2-yl) carbamate?
The canonical SMILES for (3-amino-7-bromo-1H-indol-2-yl) carbamate is NC(=O)Oc1[nH]c2c(Br)cccc2c1N.
What is the InChIKey of (3-amino-7-bromo-1H-indol-2-yl) carbamate?
The InChIKey is OBUCEJNCEVMPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2/c10-5-3-1-2-4-6(11)8(13-7(4)5)15-9(12)14/h1-3,13H,11H2,(H2,12,14).
What are the key properties of (3-amino-7-bromo-1H-indol-2-yl) carbamate?
(3-amino-7-bromo-1H-indol-2-yl) carbamate has a molecular weight of 270.09 g/mol, XLogP of 1.97, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-7-bromo-1H-indol-2-yl) carbamate is sourced from PubChem (CID 68808355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).