5-fluoro-4-methoxy-1H-indazol-3-amine

C8H8FN3O — CID 58054568

IUPAC5-fluoro-4-methoxy-1H-indazol-3-amine
SMILESCOc1c(F)ccc2[nH]nc(N)c12
InChIInChI=1S/C8H8FN3O/c1-13-7-4(9)2-3-5-6(7)8(10)12-11-5/h2-3H,1H3,(H3,10,11,12)
InChIKeyLNSXSZVFDHGGAG-UHFFFAOYSA-N
MW181.17 g/mol
LogP1.29
Rot. Bonds1

About 5-fluoro-4-methoxy-1H-indazol-3-amine

5-fluoro-4-methoxy-1H-indazol-3-amine (PubChem CID 58054568) has the molecular formula C8H8FN3O and a molecular weight of 181.17 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-1H-indazol-3-amine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-1H-indazol-3-amine
PubChem CID58054568
Molecular FormulaC8H8FN3O
Molecular Weight181.17 g/mol
Exact Mass181.07
IUPAC Name5-fluoro-4-methoxy-1H-indazol-3-amine
SMILESCOc1c(F)ccc2[nH]nc(N)c12
InChIInChI=1S/C8H8FN3O/c1-13-7-4(9)2-3-5-6(7)8(10)12-11-5/h2-3H,1H3,(H3,10,11,12)
InChIKeyLNSXSZVFDHGGAG-UHFFFAOYSA-N
XLogP1.29
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-1H-indazol-3-amine?
The IUPAC name of 5-fluoro-4-methoxy-1H-indazol-3-amine (CID 58054568) is 5-fluoro-4-methoxy-1H-indazol-3-amine.
What is the SMILES notation for 5-fluoro-4-methoxy-1H-indazol-3-amine?
The canonical SMILES for 5-fluoro-4-methoxy-1H-indazol-3-amine is COc1c(F)ccc2[nH]nc(N)c12.
What is the InChIKey of 5-fluoro-4-methoxy-1H-indazol-3-amine?
The InChIKey is LNSXSZVFDHGGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O/c1-13-7-4(9)2-3-5-6(7)8(10)12-11-5/h2-3H,1H3,(H3,10,11,12).
What are the key properties of 5-fluoro-4-methoxy-1H-indazol-3-amine?
5-fluoro-4-methoxy-1H-indazol-3-amine has a molecular weight of 181.17 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-1H-indazol-3-amine is sourced from PubChem (CID 58054568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).