2-(4-nitrophenyl)thiophene

C10H7NO2S — CID 609512

IUPAC2-(4-nitrophenyl)thiophene
SMILESO=[N+]([O-])c1ccc(-c2cccs2)cc1
InChIInChI=1S/C10H7NO2S/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H
InChIKeyYRKAJCGUTWECCT-UHFFFAOYSA-N
MW205.24 g/mol
LogP3.32
Rot. Bonds2

About 2-(4-nitrophenyl)thiophene

2-(4-nitrophenyl)thiophene (PubChem CID 609512) has the molecular formula C10H7NO2S and a molecular weight of 205.24 g/mol. Its IUPAC name is 2-(4-nitrophenyl)thiophene.

Molecular Properties

Compound Name2-(4-nitrophenyl)thiophene
PubChem CID609512
Molecular FormulaC10H7NO2S
Molecular Weight205.24 g/mol
Exact Mass205.02
IUPAC Name2-(4-nitrophenyl)thiophene
SMILESO=[N+]([O-])c1ccc(-c2cccs2)cc1
InChIInChI=1S/C10H7NO2S/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H
InChIKeyYRKAJCGUTWECCT-UHFFFAOYSA-N
XLogP3.32
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 53.32
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-(3-nitro-4-thiophen-2-ylphenyl)thiophene
CID 22765600
N-(3-nitrophenyl)-4-thiophen-2-ylbenzamide
CID 4730837
2-(2-methyl-5-nitrophenyl)thiophene
CID 57000344
3-(4-nitrophenyl)-1-phenyl-5-thiophen-2-ylpyrazole
CID 102358360
4-(4-nitrophenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
CID 19656741
6-(4-nitrophenyl)-7-thiophen-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 44721571
bis(1-nitro-4-phenylbenzene);sulfur dioxide
CID 174751271
3-(2-methoxy-5-thiophen-2-ylphenyl)-2-(4-nitrophenyl)prop-2-enal
CID 72996712
2-(4-nitrophenyl)sulfanylthiophene
CID 51063980
1-(4-nitrophenyl)-3-thiophen-2-ylpyrazol-5-amine
CID 43381256
3-[2-(4-nitrophenyl)ethenyl]-2,5-dithiophen-2-ylthiophene
CID 71360551
2-(4-nitrophenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 30777574

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)thiophene?
The IUPAC name of 2-(4-nitrophenyl)thiophene (CID 609512) is 2-(4-nitrophenyl)thiophene.
What is the SMILES notation for 2-(4-nitrophenyl)thiophene?
The canonical SMILES for 2-(4-nitrophenyl)thiophene is O=[N+]([O-])c1ccc(-c2cccs2)cc1.
What is the InChIKey of 2-(4-nitrophenyl)thiophene?
The InChIKey is YRKAJCGUTWECCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H.
What are the key properties of 2-(4-nitrophenyl)thiophene?
2-(4-nitrophenyl)thiophene has a molecular weight of 205.24 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)thiophene is sourced from PubChem (CID 609512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).