7-fluoro-3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol

C14H9FN4O3 — CID 177249161

IUPAC7-fluoro-3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol
SMILESO=[N+]([O-])c1ccc(/N=N/c2c(O)[nH]c3c(F)cccc23)cc1
InChIInChI=1S/C14H9FN4O3/c15-11-3-1-2-10-12(11)16-14(20)13(10)18-17-8-4-6-9(7-5-8)19(21)22/h1-7,16,20H/b18-17+
InChIKeyDHUKXXOUGCYQRD-ISLYRVAYSA-N
MW300.25 g/mol
LogP4.34
Rot. Bonds3

About 7-fluoro-3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol

7-fluoro-3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol (PubChem CID 177249161) has the molecular formula C14H9FN4O3 and a molecular weight of 300.25 g/mol. Its IUPAC name is 7-fluoro-3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol.

Molecular Properties

Compound Name7-fluoro-3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol
PubChem CID177249161
Molecular FormulaC14H9FN4O3
Molecular Weight300.25 g/mol
Exact Mass300.07
IUPAC Name7-fluoro-3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol
SMILESO=[N+]([O-])c1ccc(/N=N/c2c(O)[nH]c3c(F)cccc23)cc1
InChIInChI=1S/C14H9FN4O3/c15-11-3-1-2-10-12(11)16-14(20)13(10)18-17-8-4-6-9(7-5-8)19(21)22/h1-7,16,20H/b18-17+
InChIKeyDHUKXXOUGCYQRD-ISLYRVAYSA-N
XLogP4.34
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(3-chloro-4-methylphenyl)diazenyl]-7-fluoro-1H-indol-2-ol
CID 136867923
2-amino-3-[(4-nitrophenyl)diazenyl]-1H-quinolin-4-one
CID 135509420
3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 5159433
(4-nitrophenyl)-phenyldiazene
CID 17222
3-phenyldiazenyl-7-(trifluoromethyl)-1H-indol-2-ol
CID 136866763
sodium;8-amino-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid;hydride
CID 175238217
3,4,6-trichloro-2-[(4-nitrophenyl)diazenyl]phenol
CID 136695318
5-bromo-3-[(3-nitrophenyl)diazenyl]-1H-indol-2-ol
CID 3902609
2-methyl-6-[(4-nitrophenyl)diazenyl]phenol
CID 135789847
2,4-dichloro-1-(4-nitrophenoxy)benzene;8-fluoro-9H-carbazol-4-ol
CID 67628373
3-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)diazenyl]-N-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide
CID 166205930
1-(2-fluorophenyl)-3-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]thiourea
CID 135731027

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol?
The IUPAC name of 7-fluoro-3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol (CID 177249161) is 7-fluoro-3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol.
What is the SMILES notation for 7-fluoro-3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol?
The canonical SMILES for 7-fluoro-3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol is O=[N+]([O-])c1ccc(/N=N/c2c(O)[nH]c3c(F)cccc23)cc1.
What is the InChIKey of 7-fluoro-3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol?
The InChIKey is DHUKXXOUGCYQRD-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H9FN4O3/c15-11-3-1-2-10-12(11)16-14(20)13(10)18-17-8-4-6-9(7-5-8)19(21)22/h1-7,16,20H/b18-17+.
What are the key properties of 7-fluoro-3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol?
7-fluoro-3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol has a molecular weight of 300.25 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol is sourced from PubChem (CID 177249161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).