2-naphthalen-1-yl-3-nitrothiophene

C14H9NO2S — CID 46210339

IUPAC2-naphthalen-1-yl-3-nitrothiophene
SMILESO=[N+]([O-])c1ccsc1-c1cccc2ccccc12
InChIInChI=1S/C14H9NO2S/c16-15(17)13-8-9-18-14(13)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H
InChIKeyAGNOMGDLGAIMMC-UHFFFAOYSA-N
MW255.30 g/mol
LogP4.48
Rot. Bonds2

About 2-naphthalen-1-yl-3-nitrothiophene

2-naphthalen-1-yl-3-nitrothiophene (PubChem CID 46210339) has the molecular formula C14H9NO2S and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-naphthalen-1-yl-3-nitrothiophene.

Molecular Properties

Compound Name2-naphthalen-1-yl-3-nitrothiophene
PubChem CID46210339
Molecular FormulaC14H9NO2S
Molecular Weight255.30 g/mol
Exact Mass255.04
IUPAC Name2-naphthalen-1-yl-3-nitrothiophene
SMILESO=[N+]([O-])c1ccsc1-c1cccc2ccccc12
InChIInChI=1S/C14H9NO2S/c16-15(17)13-8-9-18-14(13)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H
InChIKeyAGNOMGDLGAIMMC-UHFFFAOYSA-N
XLogP4.48
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-naphthalen-1-ylthiophene-3-carbonitrile
CID 11770428
1-nitronaphthalene;hydrate
CID 174470741
3-nitro-2-phenylthiophene;1H-pyrrole
CID 68501206
1-(5-fluoro-2-nitrophenyl)naphthalene
CID 121246133
3-naphthalen-1-yl-4-nitrophenol
CID 57178069
formonitrile;1-nitronaphthalene
CID 174387830
4-nitrophenanthrene
CID 139058403
azanylidyneazanium;1-nitronaphthalene;chloride
CID 23454944
1,1'-biphenyl;1-nitronaphthalene
CID 174805071
4-(2-nitrophenyl)benzo[c]phenanthrene
CID 154597914
2-(2,4-dichlorophenyl)-3-nitrothiophene
CID 46210613
(3-nitronaphthalen-2-yl)methanol
CID 4076989

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-3-nitrothiophene?
The IUPAC name of 2-naphthalen-1-yl-3-nitrothiophene (CID 46210339) is 2-naphthalen-1-yl-3-nitrothiophene.
What is the SMILES notation for 2-naphthalen-1-yl-3-nitrothiophene?
The canonical SMILES for 2-naphthalen-1-yl-3-nitrothiophene is O=[N+]([O-])c1ccsc1-c1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yl-3-nitrothiophene?
The InChIKey is AGNOMGDLGAIMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2S/c16-15(17)13-8-9-18-14(13)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H.
What are the key properties of 2-naphthalen-1-yl-3-nitrothiophene?
2-naphthalen-1-yl-3-nitrothiophene has a molecular weight of 255.30 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-3-nitrothiophene is sourced from PubChem (CID 46210339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).