(7-bromo-5-fluoro-1H-indol-3-yl)methanamine

C9H8BrFN2 — CID 83899533

IUPAC(7-bromo-5-fluoro-1H-indol-3-yl)methanamine
SMILESNCc1c[nH]c2c(Br)cc(F)cc12
InChIInChI=1S/C9H8BrFN2/c10-8-2-6(11)1-7-5(3-12)4-13-9(7)8/h1-2,4,13H,3,12H2
InChIKeyOQOJHSYTDMIMGW-UHFFFAOYSA-N
MW243.08 g/mol
LogP2.53
Rot. Bonds1

About (7-bromo-5-fluoro-1H-indol-3-yl)methanamine

(7-bromo-5-fluoro-1H-indol-3-yl)methanamine (PubChem CID 83899533) has the molecular formula C9H8BrFN2 and a molecular weight of 243.08 g/mol. Its IUPAC name is (7-bromo-5-fluoro-1H-indol-3-yl)methanamine.

Molecular Properties

Compound Name(7-bromo-5-fluoro-1H-indol-3-yl)methanamine
PubChem CID83899533
Molecular FormulaC9H8BrFN2
Molecular Weight243.08 g/mol
Exact Mass241.99
IUPAC Name(7-bromo-5-fluoro-1H-indol-3-yl)methanamine
SMILESNCc1c[nH]c2c(Br)cc(F)cc12
InChIInChI=1S/C9H8BrFN2/c10-8-2-6(11)1-7-5(3-12)4-13-9(7)8/h1-2,4,13H,3,12H2
InChIKeyOQOJHSYTDMIMGW-UHFFFAOYSA-N
XLogP2.53
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.08
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

7-bromo-3-(cyclobutylmethyl)-5-fluoro-1H-indole
CID 106985524
7-bromo-5-fluoro-3-octyl-1H-indole
CID 106984996
7-bromo-5-fluoro-3-propan-2-yl-1H-indole
CID 106985590
2-(5,7-dibromo-1H-indol-3-yl)ethanamine
CID 15274384
7-bromo-3-cyclobutyl-5-fluoro-1H-indole
CID 106985505
7-bromo-3-(3,3-dimethylbutan-2-yl)-5-fluoro-1H-indole
CID 106985678
7-bromo-5-fluoro-3-(1-methylcyclohexyl)-1H-indole
CID 106985110
2-(5-fluoro-7-methoxy-1H-indol-3-yl)ethanamine
CID 18702266
(7-bromo-6-methyl-1H-indol-3-yl)methanamine
CID 130049517
2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid
CID 15677225
2-(5-fluoro-7-nitro-1H-indol-3-yl)ethanamine
CID 164872786
2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142411299

Frequently Asked Questions

What is the IUPAC name of (7-bromo-5-fluoro-1H-indol-3-yl)methanamine?
The IUPAC name of (7-bromo-5-fluoro-1H-indol-3-yl)methanamine (CID 83899533) is (7-bromo-5-fluoro-1H-indol-3-yl)methanamine.
What is the SMILES notation for (7-bromo-5-fluoro-1H-indol-3-yl)methanamine?
The canonical SMILES for (7-bromo-5-fluoro-1H-indol-3-yl)methanamine is NCc1c[nH]c2c(Br)cc(F)cc12.
What is the InChIKey of (7-bromo-5-fluoro-1H-indol-3-yl)methanamine?
The InChIKey is OQOJHSYTDMIMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN2/c10-8-2-6(11)1-7-5(3-12)4-13-9(7)8/h1-2,4,13H,3,12H2.
What are the key properties of (7-bromo-5-fluoro-1H-indol-3-yl)methanamine?
(7-bromo-5-fluoro-1H-indol-3-yl)methanamine has a molecular weight of 243.08 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-5-fluoro-1H-indol-3-yl)methanamine is sourced from PubChem (CID 83899533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).