4-amino-2-(5-nitrothiophen-2-yl)naphthalen-1-ol

C14H10N2O3S — CID 70020164

IUPAC4-amino-2-(5-nitrothiophen-2-yl)naphthalen-1-ol
SMILESNc1cc(-c2ccc([N+](=O)[O-])s2)c(O)c2ccccc12
InChIInChI=1S/C14H10N2O3S/c15-11-7-10(12-5-6-13(20-12)16(18)19)14(17)9-4-2-1-3-8(9)11/h1-7,17H,15H2
InChIKeyAWNNCEONFCAOEM-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.76
Rot. Bonds2

About 4-amino-2-(5-nitrothiophen-2-yl)naphthalen-1-ol

4-amino-2-(5-nitrothiophen-2-yl)naphthalen-1-ol (PubChem CID 70020164) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-amino-2-(5-nitrothiophen-2-yl)naphthalen-1-ol.

Molecular Properties

Compound Name4-amino-2-(5-nitrothiophen-2-yl)naphthalen-1-ol
PubChem CID70020164
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name4-amino-2-(5-nitrothiophen-2-yl)naphthalen-1-ol
SMILESNc1cc(-c2ccc([N+](=O)[O-])s2)c(O)c2ccccc12
InChIInChI=1S/C14H10N2O3S/c15-11-7-10(12-5-6-13(20-12)16(18)19)14(17)9-4-2-1-3-8(9)11/h1-7,17H,15H2
InChIKeyAWNNCEONFCAOEM-UHFFFAOYSA-N
XLogP3.76
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', '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

2,5-bis(5-nitrothiophen-2-yl)thiophene
CID 11046018
3-(5-nitrothiophen-2-yl)pyridin-2-amine
CID 96607519
2-[2-(5-nitrothiophen-2-yl)phenyl]ethanol
CID 19069460
5-nitrothiophen-2-amine;hydrochloride
CID 115008612
4-nitronaphthalene-1,2-diol
CID 54339442
N-naphthalen-1-yl-1-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]methanimine
CID 1379405
2-[(E)-1,2-difluoro-2-(5-nitrothiophen-2-yl)ethenyl]-5-nitrothiophene
CID 10615473
2-[(E)-2-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]ethenyl]quinoline-4-carbohydrazide
CID 71592416
2-nitro-5-phenylthiophen-3-amine
CID 83617416
4-bromo-2-nitronaphthalen-1-ol
CID 11572534
2,6-diaminophenol;2,6-dinitrophenol
CID 161330338
N-benzhydryl-5-nitrothiophene-2-carboxamide
CID 2713445

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(5-nitrothiophen-2-yl)naphthalen-1-ol?
The IUPAC name of 4-amino-2-(5-nitrothiophen-2-yl)naphthalen-1-ol (CID 70020164) is 4-amino-2-(5-nitrothiophen-2-yl)naphthalen-1-ol.
What is the SMILES notation for 4-amino-2-(5-nitrothiophen-2-yl)naphthalen-1-ol?
The canonical SMILES for 4-amino-2-(5-nitrothiophen-2-yl)naphthalen-1-ol is Nc1cc(-c2ccc([N+](=O)[O-])s2)c(O)c2ccccc12.
What is the InChIKey of 4-amino-2-(5-nitrothiophen-2-yl)naphthalen-1-ol?
The InChIKey is AWNNCEONFCAOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c15-11-7-10(12-5-6-13(20-12)16(18)19)14(17)9-4-2-1-3-8(9)11/h1-7,17H,15H2.
What are the key properties of 4-amino-2-(5-nitrothiophen-2-yl)naphthalen-1-ol?
4-amino-2-(5-nitrothiophen-2-yl)naphthalen-1-ol has a molecular weight of 286.31 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(5-nitrothiophen-2-yl)naphthalen-1-ol is sourced from PubChem (CID 70020164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).