5-fluoro-3-iodo-2-methyl-1H-indol-6-amine

C9H8FIN2 — CID 130050034

IUPAC5-fluoro-3-iodo-2-methyl-1H-indol-6-amine
SMILESCc1[nH]c2cc(N)c(F)cc2c1I
InChIInChI=1S/C9H8FIN2/c1-4-9(11)5-2-6(10)7(12)3-8(5)13-4/h2-3,13H,12H2,1H3
InChIKeyWPHMGQJMTYZIBQ-UHFFFAOYSA-N
MW290.08 g/mol
LogP2.80
Rot. Bonds

About 5-fluoro-3-iodo-2-methyl-1H-indol-6-amine

5-fluoro-3-iodo-2-methyl-1H-indol-6-amine (PubChem CID 130050034) has the molecular formula C9H8FIN2 and a molecular weight of 290.08 g/mol. Its IUPAC name is 5-fluoro-3-iodo-2-methyl-1H-indol-6-amine.

Molecular Properties

Compound Name5-fluoro-3-iodo-2-methyl-1H-indol-6-amine
PubChem CID130050034
Molecular FormulaC9H8FIN2
Molecular Weight290.08 g/mol
Exact Mass289.97
IUPAC Name5-fluoro-3-iodo-2-methyl-1H-indol-6-amine
SMILESCc1[nH]c2cc(N)c(F)cc2c1I
InChIInChI=1S/C9H8FIN2/c1-4-9(11)5-2-6(10)7(12)3-8(5)13-4/h2-3,13H,12H2,1H3
InChIKeyWPHMGQJMTYZIBQ-UHFFFAOYSA-N
XLogP2.80
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.08
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-iodo-2-methyl-1H-indol-6-amine?
The IUPAC name of 5-fluoro-3-iodo-2-methyl-1H-indol-6-amine (CID 130050034) is 5-fluoro-3-iodo-2-methyl-1H-indol-6-amine.
What is the SMILES notation for 5-fluoro-3-iodo-2-methyl-1H-indol-6-amine?
The canonical SMILES for 5-fluoro-3-iodo-2-methyl-1H-indol-6-amine is Cc1[nH]c2cc(N)c(F)cc2c1I.
What is the InChIKey of 5-fluoro-3-iodo-2-methyl-1H-indol-6-amine?
The InChIKey is WPHMGQJMTYZIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FIN2/c1-4-9(11)5-2-6(10)7(12)3-8(5)13-4/h2-3,13H,12H2,1H3.
What are the key properties of 5-fluoro-3-iodo-2-methyl-1H-indol-6-amine?
5-fluoro-3-iodo-2-methyl-1H-indol-6-amine has a molecular weight of 290.08 g/mol, XLogP of 2.80, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-iodo-2-methyl-1H-indol-6-amine is sourced from PubChem (CID 130050034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).