2-(5-fluoro-7-nitro-1H-indol-3-yl)ethanamine

C10H10FN3O2 — CID 164872786

IUPAC2-(5-fluoro-7-nitro-1H-indol-3-yl)ethanamine
SMILESNCCc1c[nH]c2c([N+](=O)[O-])cc(F)cc12
InChIInChI=1S/C10H10FN3O2/c11-7-3-8-6(1-2-12)5-13-10(8)9(4-7)14(15)16/h3-5,13H,1-2,12H2
InChIKeyBXHCZHIDWWHVTE-UHFFFAOYSA-N
MW223.21 g/mol
LogP1.72
Rot. Bonds3

About 2-(5-fluoro-7-nitro-1H-indol-3-yl)ethanamine

2-(5-fluoro-7-nitro-1H-indol-3-yl)ethanamine (PubChem CID 164872786) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is 2-(5-fluoro-7-nitro-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-fluoro-7-nitro-1H-indol-3-yl)ethanamine
PubChem CID164872786
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name2-(5-fluoro-7-nitro-1H-indol-3-yl)ethanamine
SMILESNCCc1c[nH]c2c([N+](=O)[O-])cc(F)cc12
InChIInChI=1S/C10H10FN3O2/c11-7-3-8-6(1-2-12)5-13-10(8)9(4-7)14(15)16/h3-5,13H,1-2,12H2
InChIKeyBXHCZHIDWWHVTE-UHFFFAOYSA-N
XLogP1.72
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-methoxy-7-nitro-1H-indol-3-yl)ethanamine
CID 10934571
6-fluoro-3-(methoxymethyl)-8-nitro-1H-quinolin-4-one
CID 139782460
2-(3-nitro-1H-indol-7-yl)ethanamine
CID 83882305
(7-nitro-1H-indol-3-yl)methanamine
CID 76844656
2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron
CID 121393685
(7-bromo-5-fluoro-1H-indol-3-yl)methanamine
CID 83899533
3-(5-fluoro-2-nitrophenyl)propan-1-amine
CID 43445800
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-nitrobenzenesulfonamide
CID 3603975
2-(5-methylsulfanyl-2-nitrophenyl)ethanamine
CID 121437285
2-(4-fluoro-3-nitrophenyl)ethanamine;hydrochloride
CID 178200982
(2-chloro-4-fluoro-6-nitrophenyl)methanamine
CID 171016253
2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid
CID 15677225

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-7-nitro-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(5-fluoro-7-nitro-1H-indol-3-yl)ethanamine (CID 164872786) is 2-(5-fluoro-7-nitro-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-fluoro-7-nitro-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(5-fluoro-7-nitro-1H-indol-3-yl)ethanamine is NCCc1c[nH]c2c([N+](=O)[O-])cc(F)cc12.
What is the InChIKey of 2-(5-fluoro-7-nitro-1H-indol-3-yl)ethanamine?
The InChIKey is BXHCZHIDWWHVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c11-7-3-8-6(1-2-12)5-13-10(8)9(4-7)14(15)16/h3-5,13H,1-2,12H2.
What are the key properties of 2-(5-fluoro-7-nitro-1H-indol-3-yl)ethanamine?
2-(5-fluoro-7-nitro-1H-indol-3-yl)ethanamine has a molecular weight of 223.21 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-7-nitro-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 164872786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).