2-(2-nitrophenyl)-1-benzothiophene

C14H9NO2S — CID 14912770

IUPAC2-(2-nitrophenyl)-1-benzothiophene
SMILESO=[N+]([O-])c1ccccc1-c1cc2ccccc2s1
InChIInChI=1S/C14H9NO2S/c16-15(17)12-7-3-2-6-11(12)14-9-10-5-1-4-8-13(10)18-14/h1-9H
InChIKeyMOCCSJNEVJIOGJ-UHFFFAOYSA-N
MW255.30 g/mol
LogP4.48
Rot. Bonds2

About 2-(2-nitrophenyl)-1-benzothiophene

2-(2-nitrophenyl)-1-benzothiophene (PubChem CID 14912770) has the molecular formula C14H9NO2S and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-1-benzothiophene.

Molecular Properties

Compound Name2-(2-nitrophenyl)-1-benzothiophene
PubChem CID14912770
Molecular FormulaC14H9NO2S
Molecular Weight255.30 g/mol
Exact Mass255.04
IUPAC Name2-(2-nitrophenyl)-1-benzothiophene
SMILESO=[N+]([O-])c1ccccc1-c1cc2ccccc2s1
InChIInChI=1S/C14H9NO2S/c16-15(17)12-7-3-2-6-11(12)14-9-10-5-1-4-8-13(10)18-14/h1-9H
InChIKeyMOCCSJNEVJIOGJ-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

1-benzothiophen-2-ylboronic acid;1-bromo-2-nitrobenzene;2-(2-nitrophenyl)-1-benzothiophene
CID 159158265
2-(1-benzothiophen-2-yl)-5-nitropyridine
CID 142834832
6-methoxy-2-(4-methoxy-2-nitrophenyl)-1-benzothiophene
CID 23087551
2-(2-nitrophenyl)dibenzothiophene
CID 66585334
11-(2-nitrophenyl)-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 134338033
2-(2-methoxyphenyl)-1-benzothiophene
CID 4137516
2,3-bis(1-benzothiophen-2-yl)cycloprop-2-en-1-one
CID 15515264
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
2,5-dichloro-3-(2-nitrophenyl)thiophene
CID 125484560
2-(1-benzothiophen-2-yl)-6-fluorobenzaldehyde
CID 172649843
2-[4-[3,5-bis[4-(1-benzothiophen-2-yl)thiophen-3-yl]phenyl]thiophen-3-yl]-1-benzothiophene
CID 58130437
11-(2-nitrophenyl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1,3,5,7,10,12,14,16(24),18,20,22-undecaene
CID 147782863

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-1-benzothiophene?
The IUPAC name of 2-(2-nitrophenyl)-1-benzothiophene (CID 14912770) is 2-(2-nitrophenyl)-1-benzothiophene.
What is the SMILES notation for 2-(2-nitrophenyl)-1-benzothiophene?
The canonical SMILES for 2-(2-nitrophenyl)-1-benzothiophene is O=[N+]([O-])c1ccccc1-c1cc2ccccc2s1.
What is the InChIKey of 2-(2-nitrophenyl)-1-benzothiophene?
The InChIKey is MOCCSJNEVJIOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2S/c16-15(17)12-7-3-2-6-11(12)14-9-10-5-1-4-8-13(10)18-14/h1-9H.
What are the key properties of 2-(2-nitrophenyl)-1-benzothiophene?
2-(2-nitrophenyl)-1-benzothiophene 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-(2-nitrophenyl)-1-benzothiophene is sourced from PubChem (CID 14912770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).