2,5-dichloro-3-(2-nitrophenyl)thiophene

C10H5Cl2NO2S — CID 125484560

IUPAC2,5-dichloro-3-(2-nitrophenyl)thiophene
SMILESO=[N+]([O-])c1ccccc1-c1cc(Cl)sc1Cl
InChIInChI=1S/C10H5Cl2NO2S/c11-9-5-7(10(12)16-9)6-3-1-2-4-8(6)13(14)15/h1-5H
InChIKeyNDMQKHCCGBVFOI-UHFFFAOYSA-N
MW274.13 g/mol
LogP4.63
Rot. Bonds2

About 2,5-dichloro-3-(2-nitrophenyl)thiophene

2,5-dichloro-3-(2-nitrophenyl)thiophene (PubChem CID 125484560) has the molecular formula C10H5Cl2NO2S and a molecular weight of 274.13 g/mol. Its IUPAC name is 2,5-dichloro-3-(2-nitrophenyl)thiophene.

Molecular Properties

Compound Name2,5-dichloro-3-(2-nitrophenyl)thiophene
PubChem CID125484560
Molecular FormulaC10H5Cl2NO2S
Molecular Weight274.13 g/mol
Exact Mass272.94
IUPAC Name2,5-dichloro-3-(2-nitrophenyl)thiophene
SMILESO=[N+]([O-])c1ccccc1-c1cc(Cl)sc1Cl
InChIInChI=1S/C10H5Cl2NO2S/c11-9-5-7(10(12)16-9)6-3-1-2-4-8(6)13(14)15/h1-5H
InChIKeyNDMQKHCCGBVFOI-UHFFFAOYSA-N
XLogP4.63
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 54.63
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

5-chloro-4-(2-nitrophenyl)thiophene-2-carboxylic acid
CID 90258661
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
2-bromo-4-chloro-1-(2-nitrophenyl)benzene
CID 162775338
1-chloro-4-fluoro-2-(2-nitrophenyl)benzene
CID 142744710
6-chloro-4-(2-nitrophenyl)-1H-indole
CID 90257503
2-chloro-3-(2-nitrophenyl)quinoline
CID 167354575
2-(2-nitrophenyl)-1-benzothiophene
CID 14912770
1-ethynyl-2-(2-nitrophenyl)benzene
CID 163365912
4-chloro-1-(2-chlorophenyl)-2-nitrobenzene
CID 175258433
anthracene-9,10-dione;1,2-dinitrobenzene
CID 174782436
1,3-dimethyl-5-(2-nitrophenyl)benzene
CID 102025373
1-(2-methoxyphenyl)-2-nitrobenzene
CID 818687

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-(2-nitrophenyl)thiophene?
The IUPAC name of 2,5-dichloro-3-(2-nitrophenyl)thiophene (CID 125484560) is 2,5-dichloro-3-(2-nitrophenyl)thiophene.
What is the SMILES notation for 2,5-dichloro-3-(2-nitrophenyl)thiophene?
The canonical SMILES for 2,5-dichloro-3-(2-nitrophenyl)thiophene is O=[N+]([O-])c1ccccc1-c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-3-(2-nitrophenyl)thiophene?
The InChIKey is NDMQKHCCGBVFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO2S/c11-9-5-7(10(12)16-9)6-3-1-2-4-8(6)13(14)15/h1-5H.
What are the key properties of 2,5-dichloro-3-(2-nitrophenyl)thiophene?
2,5-dichloro-3-(2-nitrophenyl)thiophene has a molecular weight of 274.13 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-(2-nitrophenyl)thiophene is sourced from PubChem (CID 125484560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).