4-fluoro-3-iodo-2-methyl-1H-indol-7-amine

C9H8FIN2 — CID 130049983

IUPAC4-fluoro-3-iodo-2-methyl-1H-indol-7-amine
SMILESCc1[nH]c2c(N)ccc(F)c2c1I
InChIInChI=1S/C9H8FIN2/c1-4-8(11)7-5(10)2-3-6(12)9(7)13-4/h2-3,13H,12H2,1H3
InChIKeyRQQYKOFYAIYHNU-UHFFFAOYSA-N
MW290.08 g/mol
LogP2.80
Rot. Bonds

About 4-fluoro-3-iodo-2-methyl-1H-indol-7-amine

4-fluoro-3-iodo-2-methyl-1H-indol-7-amine (PubChem CID 130049983) has the molecular formula C9H8FIN2 and a molecular weight of 290.08 g/mol. Its IUPAC name is 4-fluoro-3-iodo-2-methyl-1H-indol-7-amine.

Molecular Properties

Compound Name4-fluoro-3-iodo-2-methyl-1H-indol-7-amine
PubChem CID130049983
Molecular FormulaC9H8FIN2
Molecular Weight290.08 g/mol
Exact Mass289.97
IUPAC Name4-fluoro-3-iodo-2-methyl-1H-indol-7-amine
SMILESCc1[nH]c2c(N)ccc(F)c2c1I
InChIInChI=1S/C9H8FIN2/c1-4-8(11)7-5(10)2-3-6(12)9(7)13-4/h2-3,13H,12H2,1H3
InChIKeyRQQYKOFYAIYHNU-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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Related Compounds

(4,7-difluoro-2-methyl-1H-indol-3-yl)methanamine
CID 105449673
4-fluoro-3-iodo-2H-indazol-7-amine
CID 24729238
4-fluoro-2-iodobenzene-1,3-diamine
CID 135395533
3,4-difluoro-2-iodoaniline;hydrochloride
CID 165431084
5-fluoro-3-iodo-2-methyl-1H-indol-6-amine
CID 130050034
8-fluoro-1-methylisoquinolin-5-amine
CID 115014664
2,8-difluoronaphthalene-1,5-diamine
CID 18457200
2,3,7-trimethyl-1H-indol-4-amine;hydrochloride
CID 67973093
4-fluoro-3-methylbenzene-1,2-diamine
CID 22055547
3-(chloromethyl)-4-fluoro-2,7-dimethyl-1H-indole
CID 130050200
8-bromo-5-fluoro-2,3-dimethyl-1H-quinolin-4-one
CID 107628096
4-fluoro-3-iodo-2-(trifluoromethyl)aniline
CID 130935825

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-iodo-2-methyl-1H-indol-7-amine?
The IUPAC name of 4-fluoro-3-iodo-2-methyl-1H-indol-7-amine (CID 130049983) is 4-fluoro-3-iodo-2-methyl-1H-indol-7-amine.
What is the SMILES notation for 4-fluoro-3-iodo-2-methyl-1H-indol-7-amine?
The canonical SMILES for 4-fluoro-3-iodo-2-methyl-1H-indol-7-amine is Cc1[nH]c2c(N)ccc(F)c2c1I.
What is the InChIKey of 4-fluoro-3-iodo-2-methyl-1H-indol-7-amine?
The InChIKey is RQQYKOFYAIYHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FIN2/c1-4-8(11)7-5(10)2-3-6(12)9(7)13-4/h2-3,13H,12H2,1H3.
What are the key properties of 4-fluoro-3-iodo-2-methyl-1H-indol-7-amine?
4-fluoro-3-iodo-2-methyl-1H-indol-7-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 4-fluoro-3-iodo-2-methyl-1H-indol-7-amine is sourced from PubChem (CID 130049983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).