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

C9H9BrN2O — CID 84702327

IUPAC2-(aminomethyl)-3-bromo-1H-indol-4-ol
SMILESNCc1[nH]c2cccc(O)c2c1Br
InChIInChI=1S/C9H9BrN2O/c10-9-6(4-11)12-5-2-1-3-7(13)8(5)9/h1-3,12-13H,4,11H2
InChIKeyPTLJSMMCZAPYQC-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.09
Rot. Bonds1

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

2-(aminomethyl)-3-bromo-1H-indol-4-ol (PubChem CID 84702327) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 2-(aminomethyl)-3-bromo-1H-indol-4-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-bromo-1H-indol-4-ol
PubChem CID84702327
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name2-(aminomethyl)-3-bromo-1H-indol-4-ol
SMILESNCc1[nH]c2cccc(O)c2c1Br
InChIInChI=1S/C9H9BrN2O/c10-9-6(4-11)12-5-2-1-3-7(13)8(5)9/h1-3,12-13H,4,11H2
InChIKeyPTLJSMMCZAPYQC-UHFFFAOYSA-N
XLogP2.09
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-amino-2-oxoethyl)-4-hydroxy-1H-indole-3-carboxamide
CID 58280297
2-[2-(carboxymethyl)-4-hydroxy-1H-indol-3-yl]acetic acid
CID 134812921
3,4-dibromo-1H-indol-2-ol
CID 163362581
2-(3-bromo-1H-indol-2-yl)ethanamine
CID 84629371
4-amino-5-hydroxy-1H-quinazolin-2-one
CID 135903172
(4-bromo-2-propan-2-yl-1H-indol-3-yl)methanamine
CID 84711874
(3-fluoro-1H-indol-2-yl)methanamine
CID 83853699
4-bromo-2-ethyl-5-hydroxy-1H-indole-3-carbaldehyde
CID 84712000
2-(2-aminoethyl)-1H-indol-3-ol
CID 54537889
ethyl 4-bromo-3-hydroxy-1H-indole-2-carboxylate
CID 54708469
3-amino-1H-indazol-4-ol
CID 135583106
2-bromo-3-[2-[2-(hydroxymethyl)azetidin-1-yl]ethyl]-1H-indol-4-ol
CID 171080111

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-bromo-1H-indol-4-ol?
The IUPAC name of 2-(aminomethyl)-3-bromo-1H-indol-4-ol (CID 84702327) is 2-(aminomethyl)-3-bromo-1H-indol-4-ol.
What is the SMILES notation for 2-(aminomethyl)-3-bromo-1H-indol-4-ol?
The canonical SMILES for 2-(aminomethyl)-3-bromo-1H-indol-4-ol is NCc1[nH]c2cccc(O)c2c1Br.
What is the InChIKey of 2-(aminomethyl)-3-bromo-1H-indol-4-ol?
The InChIKey is PTLJSMMCZAPYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c10-9-6(4-11)12-5-2-1-3-7(13)8(5)9/h1-3,12-13H,4,11H2.
What are the key properties of 2-(aminomethyl)-3-bromo-1H-indol-4-ol?
2-(aminomethyl)-3-bromo-1H-indol-4-ol has a molecular weight of 241.09 g/mol, XLogP of 2.09, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-bromo-1H-indol-4-ol is sourced from PubChem (CID 84702327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).