2-(3-aminophenyl)-6-nitrophenol;hydrobromide

C12H11BrN2O3 — CID 69006679

IUPAC2-(3-aminophenyl)-6-nitrophenol;hydrobromide
SMILESBr.Nc1cccc(-c2cccc([N+](=O)[O-])c2O)c1
InChIInChI=1S/C12H10N2O3.BrH/c13-9-4-1-3-8(7-9)10-5-2-6-11(12(10)15)14(16)17;/h1-7,15H,13H2;1H
InChIKeyGBSHJMZDGXTRGK-UHFFFAOYSA-N
MW311.13 g/mol
LogP3.13
Rot. Bonds2

About 2-(3-aminophenyl)-6-nitrophenol;hydrobromide

2-(3-aminophenyl)-6-nitrophenol;hydrobromide (PubChem CID 69006679) has the molecular formula C12H11BrN2O3 and a molecular weight of 311.13 g/mol. Its IUPAC name is 2-(3-aminophenyl)-6-nitrophenol;hydrobromide.

Molecular Properties

Compound Name2-(3-aminophenyl)-6-nitrophenol;hydrobromide
PubChem CID69006679
Molecular FormulaC12H11BrN2O3
Molecular Weight311.13 g/mol
Exact Mass310.00
IUPAC Name2-(3-aminophenyl)-6-nitrophenol;hydrobromide
SMILESBr.Nc1cccc(-c2cccc([N+](=O)[O-])c2O)c1
InChIInChI=1S/C12H10N2O3.BrH/c13-9-4-1-3-8(7-9)10-5-2-6-11(12(10)15)14(16)17;/h1-7,15H,13H2;1H
InChIKeyGBSHJMZDGXTRGK-UHFFFAOYSA-N
XLogP3.13
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.13
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

N-[3-(2-hydroxy-3-nitrophenyl)phenyl]methanesulfonamide
CID 69009901
2,6-diaminophenol;2,6-dinitrophenol
CID 161330338
3-(4-methylsulfonyl-2-nitrophenyl)aniline
CID 175686611
4-(3-aminophenyl)-2-nitrobenzoic acid
CID 53224928
5-amino-2-(3-aminophenyl)phenol;hydrochloride
CID 22023366
3-[2,3-bis(3-aminophenyl)phenyl]phenol
CID 139931818
3-(3-aminophenyl)-5-nitrofuran-2-carboxamide
CID 175705176
3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline
CID 18003218
3-nitro-4-phenylaniline
CID 19386766
2-(2-hydroxy-3-nitrophenyl)benzoic acid
CID 150610038
1-(3-methylphenyl)-2-nitrobenzene
CID 12592509
4-methyl-3-(2-methyl-6-nitrophenyl)aniline
CID 100971309

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-6-nitrophenol;hydrobromide?
The IUPAC name of 2-(3-aminophenyl)-6-nitrophenol;hydrobromide (CID 69006679) is 2-(3-aminophenyl)-6-nitrophenol;hydrobromide.
What is the SMILES notation for 2-(3-aminophenyl)-6-nitrophenol;hydrobromide?
The canonical SMILES for 2-(3-aminophenyl)-6-nitrophenol;hydrobromide is Br.Nc1cccc(-c2cccc([N+](=O)[O-])c2O)c1.
What is the InChIKey of 2-(3-aminophenyl)-6-nitrophenol;hydrobromide?
The InChIKey is GBSHJMZDGXTRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3.BrH/c13-9-4-1-3-8(7-9)10-5-2-6-11(12(10)15)14(16)17;/h1-7,15H,13H2;1H.
What are the key properties of 2-(3-aminophenyl)-6-nitrophenol;hydrobromide?
2-(3-aminophenyl)-6-nitrophenol;hydrobromide has a molecular weight of 311.13 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-6-nitrophenol;hydrobromide is sourced from PubChem (CID 69006679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).