6-fluoro-3-(6-nitro-3-pyridinyl)-1H-indole

C13H8FN3O2 — CID 144902248

IUPAC6-fluoro-3-(6-nitro-3-pyridinyl)-1H-indole
SMILESO=[N+]([O-])c1ccc(-c2c[nH]c3cc(F)ccc23)cn1
InChIInChI=1S/C13H8FN3O2/c14-9-2-3-10-11(7-15-12(10)5-9)8-1-4-13(16-6-8)17(18)19/h1-7,15H
InChIKeyHXXCRCKWLAENAN-UHFFFAOYSA-N
MW257.22 g/mol
LogP3.28
Rot. Bonds2

About 6-fluoro-3-(6-nitro-3-pyridinyl)-1H-indole

6-fluoro-3-(6-nitro-3-pyridinyl)-1H-indole (PubChem CID 144902248) has the molecular formula C13H8FN3O2 and a molecular weight of 257.22 g/mol. Its IUPAC name is 6-fluoro-3-(6-nitro-3-pyridinyl)-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-(6-nitro-3-pyridinyl)-1H-indole
PubChem CID144902248
Molecular FormulaC13H8FN3O2
Molecular Weight257.22 g/mol
Exact Mass257.06
IUPAC Name6-fluoro-3-(6-nitro-3-pyridinyl)-1H-indole
SMILESO=[N+]([O-])c1ccc(-c2c[nH]c3cc(F)ccc23)cn1
InChIInChI=1S/C13H8FN3O2/c14-9-2-3-10-11(7-15-12(10)5-9)8-1-4-13(16-6-8)17(18)19/h1-7,15H
InChIKeyHXXCRCKWLAENAN-UHFFFAOYSA-N
XLogP3.28
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 53.28
H-Bond Donors ≤ 51
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

6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole
CID 91827423
6-fluoro-3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indole
CID 118292975
6-fluoro-3-(2-methyl-4-pyridinyl)-1H-indole
CID 160738701
4-(6-fluoro-1H-indol-3-yl)benzene-1,2-diamine;methane
CID 144924015
N-[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
CID 118293044
4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide;oxolane
CID 145257869
6-(6-fluoro-1H-indol-3-yl)-3H-furo[3,2-b]pyridin-2-one
CID 160959371
6-fluoro-3-[(Z)-2-nitroethenyl]-1H-indole
CID 124637317
5-(6-fluoro-1H-indol-3-yl)-1,3-oxazole-2-carboxylic acid
CID 82384701
2-amino-1-[4-[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 118292934
4-(6-fluoro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 126584383
1-amino-7-[[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]amino]heptan-2-one
CID 123723251

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(6-nitro-3-pyridinyl)-1H-indole?
The IUPAC name of 6-fluoro-3-(6-nitro-3-pyridinyl)-1H-indole (CID 144902248) is 6-fluoro-3-(6-nitro-3-pyridinyl)-1H-indole.
What is the SMILES notation for 6-fluoro-3-(6-nitro-3-pyridinyl)-1H-indole?
The canonical SMILES for 6-fluoro-3-(6-nitro-3-pyridinyl)-1H-indole is O=[N+]([O-])c1ccc(-c2c[nH]c3cc(F)ccc23)cn1.
What is the InChIKey of 6-fluoro-3-(6-nitro-3-pyridinyl)-1H-indole?
The InChIKey is HXXCRCKWLAENAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O2/c14-9-2-3-10-11(7-15-12(10)5-9)8-1-4-13(16-6-8)17(18)19/h1-7,15H.
What are the key properties of 6-fluoro-3-(6-nitro-3-pyridinyl)-1H-indole?
6-fluoro-3-(6-nitro-3-pyridinyl)-1H-indole has a molecular weight of 257.22 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(6-nitro-3-pyridinyl)-1H-indole is sourced from PubChem (CID 144902248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).