3-iodo-4-methoxy-2H-indazol-5-amine

C8H8IN3O — CID 89206256

IUPAC3-iodo-4-methoxy-2H-indazol-5-amine
SMILESCOc1c(N)ccc2n[nH]c(I)c12
InChIInChI=1S/C8H8IN3O/c1-13-7-4(10)2-3-5-6(7)8(9)12-11-5/h2-3H,10H2,1H3,(H,11,12)
InChIKeyQWTHJSCMZWYESB-UHFFFAOYSA-N
MW289.08 g/mol
LogP1.76
Rot. Bonds1

About 3-iodo-4-methoxy-2H-indazol-5-amine

3-iodo-4-methoxy-2H-indazol-5-amine (PubChem CID 89206256) has the molecular formula C8H8IN3O and a molecular weight of 289.08 g/mol. Its IUPAC name is 3-iodo-4-methoxy-2H-indazol-5-amine.

Molecular Properties

Compound Name3-iodo-4-methoxy-2H-indazol-5-amine
PubChem CID89206256
Molecular FormulaC8H8IN3O
Molecular Weight289.08 g/mol
Exact Mass288.97
IUPAC Name3-iodo-4-methoxy-2H-indazol-5-amine
SMILESCOc1c(N)ccc2n[nH]c(I)c12
InChIInChI=1S/C8H8IN3O/c1-13-7-4(10)2-3-5-6(7)8(9)12-11-5/h2-3H,10H2,1H3,(H,11,12)
InChIKeyQWTHJSCMZWYESB-UHFFFAOYSA-N
XLogP1.76
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.08
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-[2-(4-methylphenyl)ethyl]-2H-indazol-5-amine
CID 89206287
5-bromo-4-methoxy-3-methyl-2H-indazole
CID 84702333
7-methoxy-1,3-benzothiazol-6-amine
CID 45077103
3-[(E)-2-(4-aminophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid
CID 135987971
3-iodo-6-methyl-2H-indazol-5-amine
CID 24729252
5-bromo-3-ethyl-4-methoxy-2H-indazole
CID 168932014
4-(4-aminophenyl)-2,3-dimethoxyaniline;hydrochloride
CID 174602053
4-fluoro-3-iodo-2H-indazol-7-amine
CID 24729238
6-chloro-3-iodo-2H-indazol-4-amine
CID 24728283
2,3,4-trimethoxyaniline
CID 15455622
6-amino-2-methoxy-3-methylbenzenethiol
CID 20566093
2-methoxy-3-pyridin-2-ylaniline
CID 171626476

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methoxy-2H-indazol-5-amine?
The IUPAC name of 3-iodo-4-methoxy-2H-indazol-5-amine (CID 89206256) is 3-iodo-4-methoxy-2H-indazol-5-amine.
What is the SMILES notation for 3-iodo-4-methoxy-2H-indazol-5-amine?
The canonical SMILES for 3-iodo-4-methoxy-2H-indazol-5-amine is COc1c(N)ccc2n[nH]c(I)c12.
What is the InChIKey of 3-iodo-4-methoxy-2H-indazol-5-amine?
The InChIKey is QWTHJSCMZWYESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8IN3O/c1-13-7-4(10)2-3-5-6(7)8(9)12-11-5/h2-3H,10H2,1H3,(H,11,12).
What are the key properties of 3-iodo-4-methoxy-2H-indazol-5-amine?
3-iodo-4-methoxy-2H-indazol-5-amine has a molecular weight of 289.08 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methoxy-2H-indazol-5-amine is sourced from PubChem (CID 89206256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).