2-(5,7-dinitro-1H-indol-2-yl)phenol

C14H9N3O5 — CID 11779476

IUPAC2-(5,7-dinitro-1H-indol-2-yl)phenol
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3O)cc2c1
InChIInChI=1S/C14H9N3O5/c18-13-4-2-1-3-10(13)11-6-8-5-9(16(19)20)7-12(17(21)22)14(8)15-11/h1-7,15,18H
InChIKeyOLDZFQRFGOCVPV-UHFFFAOYSA-N
MW299.24 g/mol
LogP3.36
Rot. Bonds3

About 2-(5,7-dinitro-1H-indol-2-yl)phenol

2-(5,7-dinitro-1H-indol-2-yl)phenol (PubChem CID 11779476) has the molecular formula C14H9N3O5 and a molecular weight of 299.24 g/mol. Its IUPAC name is 2-(5,7-dinitro-1H-indol-2-yl)phenol.

Molecular Properties

Compound Name2-(5,7-dinitro-1H-indol-2-yl)phenol
PubChem CID11779476
Molecular FormulaC14H9N3O5
Molecular Weight299.24 g/mol
Exact Mass299.05
IUPAC Name2-(5,7-dinitro-1H-indol-2-yl)phenol
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3O)cc2c1
InChIInChI=1S/C14H9N3O5/c18-13-4-2-1-3-10(13)11-6-8-5-9(16(19)20)7-12(17(21)22)14(8)15-11/h1-7,15,18H
InChIKeyOLDZFQRFGOCVPV-UHFFFAOYSA-N
XLogP3.36
TPSA122.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5,7-dinitro-2-phenyl-1H-indole
CID 10062345
2-[5-(2-nitrophenyl)-1H-pyrazol-3-yl]phenol
CID 3702104
2-(1H-indol-2-yl)-4-[(4-nitrophenyl)diazenyl]phenol
CID 136771287
1,5-bis(2,4,6-trinitrophenyl)naphthalene
CID 102507077
cobalt;2,4,6-trinitrophenol
CID 88826081
thorium;2,4,6-trinitrophenol
CID 88723018
manganese;bis(2,4,6-trinitrophenol)
CID 131879151
titanium;tetrakis(2,4,6-trinitrophenol)
CID 175054734
titanium;2,4,6-trinitrophenol
CID 175328132
CID 87277719
CID 87277719
3-nitronaphthalen-2-ol
CID 15859501
azane;2,4-dinitrophenol;hydrate
CID 174664401

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dinitro-1H-indol-2-yl)phenol?
The IUPAC name of 2-(5,7-dinitro-1H-indol-2-yl)phenol (CID 11779476) is 2-(5,7-dinitro-1H-indol-2-yl)phenol.
What is the SMILES notation for 2-(5,7-dinitro-1H-indol-2-yl)phenol?
The canonical SMILES for 2-(5,7-dinitro-1H-indol-2-yl)phenol is O=[N+]([O-])c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3O)cc2c1.
What is the InChIKey of 2-(5,7-dinitro-1H-indol-2-yl)phenol?
The InChIKey is OLDZFQRFGOCVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O5/c18-13-4-2-1-3-10(13)11-6-8-5-9(16(19)20)7-12(17(21)22)14(8)15-11/h1-7,15,18H.
What are the key properties of 2-(5,7-dinitro-1H-indol-2-yl)phenol?
2-(5,7-dinitro-1H-indol-2-yl)phenol has a molecular weight of 299.24 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dinitro-1H-indol-2-yl)phenol is sourced from PubChem (CID 11779476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).