2-amino-5-nitrophenol;4-aminophenol;benzene-1,3-diol;2-nitrobenzene-1,4-diamine

C24H26N6O8 — CID 173361961

IUPAC2-amino-5-nitrophenol;4-aminophenol;benzene-1,3-diol;2-nitrobenzene-1,4-diamine
SMILESNc1ccc(N)c([N+](=O)[O-])c1.Nc1ccc(O)cc1.Nc1ccc([N+](=O)[O-])cc1O.Oc1cccc(O)c1
InChIInChI=1S/C6H7N3O2.C6H6N2O3.C6H7NO.C6H6O2/c7-4-1-2-5(8)6(3-4)9(10)11;7-5-2-1-4(8(10)11)3-6(5)9;7-5-1-3-6(8)4-2-5;7-5-2-1-3-6(8)4-5/h1-3H,7-8H2;1-3,9H,7H2;1-4,8H,7H2;1-4,7-8H
InChIKeyUXBPXPDDHJYLIN-UHFFFAOYSA-N
MW526.51 g/mol
LogP3.71
Rot. Bonds2

About 2-amino-5-nitrophenol;4-aminophenol;benzene-1,3-diol;2-nitrobenzene-1,4-diamine

2-amino-5-nitrophenol;4-aminophenol;benzene-1,3-diol;2-nitrobenzene-1,4-diamine (PubChem CID 173361961) has the molecular formula C24H26N6O8 and a molecular weight of 526.51 g/mol. Its IUPAC name is 2-amino-5-nitrophenol;4-aminophenol;benzene-1,3-diol;2-nitrobenzene-1,4-diamine.

Molecular Properties

Compound Name2-amino-5-nitrophenol;4-aminophenol;benzene-1,3-diol;2-nitrobenzene-1,4-diamine
PubChem CID173361961
Molecular FormulaC24H26N6O8
Molecular Weight526.51 g/mol
Exact Mass526.18
IUPAC Name2-amino-5-nitrophenol;4-aminophenol;benzene-1,3-diol;2-nitrobenzene-1,4-diamine
SMILESNc1ccc(N)c([N+](=O)[O-])c1.Nc1ccc(O)cc1.Nc1ccc([N+](=O)[O-])cc1O.Oc1cccc(O)c1
InChIInChI=1S/C6H7N3O2.C6H6N2O3.C6H7NO.C6H6O2/c7-4-1-2-5(8)6(3-4)9(10)11;7-5-2-1-4(8(10)11)3-6(5)9;7-5-1-3-6(8)4-2-5;7-5-2-1-3-6(8)4-5/h1-3H,7-8H2;1-3,9H,7H2;1-4,8H,7H2;1-4,7-8H
InChIKeyUXBPXPDDHJYLIN-UHFFFAOYSA-N
XLogP3.71
TPSA271.28 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500526.51
LogP ≤ 53.71
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-nitrophenol;naphthalen-2-ol
CID 23314581
4-amino-3-nitrophenol;3,4-dihydroxycyclobut-3-ene-1,2-dione
CID 154809804
naphthalen-2-ol;4-nitroaniline
CID 160761253
2,4-dinitroaniline;sulfuric acid
CID 174852217
dichlorocopper;4-methylaniline;3-nitrophenol
CID 70478847
4-(4-amino-3-nitrophenyl)-2-nitrophenol
CID 91740397
4-(4-amino-3-nitrophenyl)-2-nitroaniline
CID 3106720
6-amino-3H-1,3-benzoxazol-2-one;2-amino-5-nitrophenol;6-nitro-3H-1,3-benzoxazol-2-one
CID 158152767
4-nitrophenol
CID 88714583
3-amino-4-nitrophenol;ethane
CID 142035460
3-(4-nitrophenyl)phenol
CID 15743438
4-nitrophenol;phosphane
CID 157153413

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-nitrophenol;4-aminophenol;benzene-1,3-diol;2-nitrobenzene-1,4-diamine?
The IUPAC name of 2-amino-5-nitrophenol;4-aminophenol;benzene-1,3-diol;2-nitrobenzene-1,4-diamine (CID 173361961) is 2-amino-5-nitrophenol;4-aminophenol;benzene-1,3-diol;2-nitrobenzene-1,4-diamine.
What is the SMILES notation for 2-amino-5-nitrophenol;4-aminophenol;benzene-1,3-diol;2-nitrobenzene-1,4-diamine?
The canonical SMILES for 2-amino-5-nitrophenol;4-aminophenol;benzene-1,3-diol;2-nitrobenzene-1,4-diamine is Nc1ccc(N)c([N+](=O)[O-])c1.Nc1ccc(O)cc1.Nc1ccc([N+](=O)[O-])cc1O.Oc1cccc(O)c1.
What is the InChIKey of 2-amino-5-nitrophenol;4-aminophenol;benzene-1,3-diol;2-nitrobenzene-1,4-diamine?
The InChIKey is UXBPXPDDHJYLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2.C6H6N2O3.C6H7NO.C6H6O2/c7-4-1-2-5(8)6(3-4)9(10)11;7-5-2-1-4(8(10)11)3-6(5)9;7-5-1-3-6(8)4-2-5;7-5-2-1-3-6(8)4-5/h1-3H,7-8H2;1-3,9H,7H2;1-4,8H,7H2;1-4,7-8H.
What are the key properties of 2-amino-5-nitrophenol;4-aminophenol;benzene-1,3-diol;2-nitrobenzene-1,4-diamine?
2-amino-5-nitrophenol;4-aminophenol;benzene-1,3-diol;2-nitrobenzene-1,4-diamine has a molecular weight of 526.51 g/mol, XLogP of 3.71, 2 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-nitrophenol;4-aminophenol;benzene-1,3-diol;2-nitrobenzene-1,4-diamine is sourced from PubChem (CID 173361961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).