1-[(2S)-2-aminopropyl]-7-iodoindazol-6-ol

C10H12IN3O — CID 135427931

IUPAC1-[(2S)-2-aminopropyl]-7-iodoindazol-6-ol
SMILESC[C@H](N)Cn1ncc2ccc(O)c(I)c21
InChIInChI=1S/C10H12IN3O/c1-6(12)5-14-10-7(4-13-14)2-3-8(15)9(10)11/h2-4,6,15H,5,12H2,1H3/t6-/m0/s1
InChIKeyNTWCUBZMEYKYQE-LURJTMIESA-N
MW317.13 g/mol
LogP1.69
Rot. Bonds2

About 1-[(2S)-2-aminopropyl]-7-iodoindazol-6-ol

1-[(2S)-2-aminopropyl]-7-iodoindazol-6-ol (PubChem CID 135427931) has the molecular formula C10H12IN3O and a molecular weight of 317.13 g/mol. Its IUPAC name is 1-[(2S)-2-aminopropyl]-7-iodoindazol-6-ol.

Molecular Properties

Compound Name1-[(2S)-2-aminopropyl]-7-iodoindazol-6-ol
PubChem CID135427931
Molecular FormulaC10H12IN3O
Molecular Weight317.13 g/mol
Exact Mass317.00
IUPAC Name1-[(2S)-2-aminopropyl]-7-iodoindazol-6-ol
SMILESC[C@H](N)Cn1ncc2ccc(O)c(I)c21
InChIInChI=1S/C10H12IN3O/c1-6(12)5-14-10-7(4-13-14)2-3-8(15)9(10)11/h2-4,6,15H,5,12H2,1H3/t6-/m0/s1
InChIKeyNTWCUBZMEYKYQE-LURJTMIESA-N
XLogP1.69
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

AL-34662
CID 135453290
1-((S)-2-aminopropyl)-7-fluoro-1H-indazol-6-ol
CID 135399866
1-((S)-2-aminopropyl)-7-methyl-1H-indazol-6-ol
CID 135414348
1-((S)-2-aminopropyl)-7-chloro-1H-indazol-6-ol
CID 135509961
1-(2-aminoethyl)-1H-indazol-6-ol
CID 135520431
(S)-2-(6-methoxyindazol-1-yl)-1-methylethylamine
CID 11708275
1-((R)-2-aminopropyl)-1H-indazol-6-ol
CID 135399666
1-(2-aminopropyl)-1H-indazol-6-ol
CID 135409353
4-Hydroxy-1-methyl-1H-indazole
CID 135463569
1-methyl-1H-indazol-6-ol
CID 135503223
2-Methyl-2H-indazol-4-ol
CID 135742457
1,3-Dimethyl-1H-indazol-6-ol
CID 136300233

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-aminopropyl]-7-iodoindazol-6-ol?
The IUPAC name of 1-[(2S)-2-aminopropyl]-7-iodoindazol-6-ol (CID 135427931) is 1-[(2S)-2-aminopropyl]-7-iodoindazol-6-ol.
What is the SMILES notation for 1-[(2S)-2-aminopropyl]-7-iodoindazol-6-ol?
The canonical SMILES for 1-[(2S)-2-aminopropyl]-7-iodoindazol-6-ol is C[C@H](N)Cn1ncc2ccc(O)c(I)c21.
What is the InChIKey of 1-[(2S)-2-aminopropyl]-7-iodoindazol-6-ol?
The InChIKey is NTWCUBZMEYKYQE-LURJTMIESA-N. The full InChI is InChI=1S/C10H12IN3O/c1-6(12)5-14-10-7(4-13-14)2-3-8(15)9(10)11/h2-4,6,15H,5,12H2,1H3/t6-/m0/s1.
What are the key properties of 1-[(2S)-2-aminopropyl]-7-iodoindazol-6-ol?
1-[(2S)-2-aminopropyl]-7-iodoindazol-6-ol has a molecular weight of 317.13 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-aminopropyl]-7-iodoindazol-6-ol is sourced from PubChem (CID 135427931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).