3-(2-chlorophenyl)-5-ethyl-2-nitrothiophene

C12H10ClNO2S — CID 57025516

IUPAC3-(2-chlorophenyl)-5-ethyl-2-nitrothiophene
SMILESCCc1cc(-c2ccccc2Cl)c([N+](=O)[O-])s1
InChIInChI=1S/C12H10ClNO2S/c1-2-8-7-10(12(17-8)14(15)16)9-5-3-4-6-11(9)13/h3-7H,2H2,1H3
InChIKeyADDYYQJCFWWRMI-UHFFFAOYSA-N
MW267.74 g/mol
LogP4.54
Rot. Bonds3

About 3-(2-chlorophenyl)-5-ethyl-2-nitrothiophene

3-(2-chlorophenyl)-5-ethyl-2-nitrothiophene (PubChem CID 57025516) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-ethyl-2-nitrothiophene.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-ethyl-2-nitrothiophene
PubChem CID57025516
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Name3-(2-chlorophenyl)-5-ethyl-2-nitrothiophene
SMILESCCc1cc(-c2ccccc2Cl)c([N+](=O)[O-])s1
InChIInChI=1S/C12H10ClNO2S/c1-2-8-7-10(12(17-8)14(15)16)9-5-3-4-6-11(9)13/h3-7H,2H2,1H3
InChIKeyADDYYQJCFWWRMI-UHFFFAOYSA-N
XLogP4.54
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 54.54
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

4-chloro-1-(2-chlorophenyl)-2-nitrobenzene
CID 175258433
2-(2-chlorophenyl)-7-ethyl-5-nitro-1,3-benzoxazole
CID 91673426
1-(2-chlorophenyl)-2-methoxy-4-nitrobenzene
CID 134109564
4-bromo-1-(2-chlorophenyl)-2-nitrobenzene
CID 147124448
(2-chlorophenyl)-[5-ethyl-2-(2-nitroethenylamino)thiophen-3-yl]methanone
CID 67757398
2-(2-chlorophenyl)-4-methyl-5-nitropyridine
CID 166436309
5-(2-chlorophenyl)-7-ethyl-1-methyl-2,3-dihydrothieno[2,3-e][1,4]diazepin-3-ol
CID 142641555
5-(2-chlorophenyl)-7-ethyl-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carbonyl chloride;hydrochloride
CID 21451007
1,2-dichlorobenzene;nitromethane
CID 174874189
4-chloro-5-(2-chlorophenyl)-2-ethylaniline
CID 90462567
methyl 2-[2-(2-chlorophenyl)-4-nitrophenoxy]acetate
CID 165352732
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-ethyl-2-nitrothiophene?
The IUPAC name of 3-(2-chlorophenyl)-5-ethyl-2-nitrothiophene (CID 57025516) is 3-(2-chlorophenyl)-5-ethyl-2-nitrothiophene.
What is the SMILES notation for 3-(2-chlorophenyl)-5-ethyl-2-nitrothiophene?
The canonical SMILES for 3-(2-chlorophenyl)-5-ethyl-2-nitrothiophene is CCc1cc(-c2ccccc2Cl)c([N+](=O)[O-])s1.
What is the InChIKey of 3-(2-chlorophenyl)-5-ethyl-2-nitrothiophene?
The InChIKey is ADDYYQJCFWWRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c1-2-8-7-10(12(17-8)14(15)16)9-5-3-4-6-11(9)13/h3-7H,2H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-5-ethyl-2-nitrothiophene?
3-(2-chlorophenyl)-5-ethyl-2-nitrothiophene has a molecular weight of 267.74 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-ethyl-2-nitrothiophene is sourced from PubChem (CID 57025516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).