2-chloro-5-[(E)-2-nitroethenyl]thiophene

C6H4ClNO2S — CID 818881

IUPAC2-chloro-5-[(E)-2-nitroethenyl]thiophene
SMILESO=[N+]([O-])/C=C/c1ccc(Cl)s1
InChIInChI=1S/C6H4ClNO2S/c7-6-2-1-5(11-6)3-4-8(9)10/h1-4H/b4-3+
InChIKeyIEFOBMWMGIWTAW-ONEGZZNKSA-N
MW189.62 g/mol
LogP2.65
Rot. Bonds2

About 2-chloro-5-[(E)-2-nitroethenyl]thiophene

2-chloro-5-[(E)-2-nitroethenyl]thiophene (PubChem CID 818881) has the molecular formula C6H4ClNO2S and a molecular weight of 189.62 g/mol. Its IUPAC name is 2-chloro-5-[(E)-2-nitroethenyl]thiophene.

Molecular Properties

Compound Name2-chloro-5-[(E)-2-nitroethenyl]thiophene
PubChem CID818881
Molecular FormulaC6H4ClNO2S
Molecular Weight189.62 g/mol
Exact Mass188.97
IUPAC Name2-chloro-5-[(E)-2-nitroethenyl]thiophene
SMILESO=[N+]([O-])/C=C/c1ccc(Cl)s1
InChIInChI=1S/C6H4ClNO2S/c7-6-2-1-5(11-6)3-4-8(9)10/h1-4H/b4-3+
InChIKeyIEFOBMWMGIWTAW-ONEGZZNKSA-N
XLogP2.65
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 52.65
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

Thiophene, 2-(2-nitroethenyl)-
CID 687329
(E)-2-(2-Nitroethenyl)thiophene
CID 95586
2-[(Z)-2-nitroethenyl]thiophene
CID 1712459
2-[(Z)-2-chloro-2-nitroethenyl]thiophene
CID 14971167
2-Fluoro-5-(2-nitroethenyl)thiophene
CID 141280078
2-Methyl-5-[(E)-2-nitroethenyl]thiophene
CID 21861327
4-(Thiophen-2-yl)-1-nitrobuta-1,3-diene
CID 138454152
2-Chloro-5-(2-nitrovinyl)thiophene
CID 818880
4-Chloro-2-(2-nitroethenyl)thiophene
CID 13558373
2-Methyl-5-(2-nitro-vinyl)-thiophene
CID 53915876
2-(5-chlorothiophen-2-yl)-N-methoxyethenamine
CID 57066071
3-chloro-2-[(E)-2-nitroprop-1-enyl]thiophene
CID 59475098

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(E)-2-nitroethenyl]thiophene?
The IUPAC name of 2-chloro-5-[(E)-2-nitroethenyl]thiophene (CID 818881) is 2-chloro-5-[(E)-2-nitroethenyl]thiophene.
What is the SMILES notation for 2-chloro-5-[(E)-2-nitroethenyl]thiophene?
The canonical SMILES for 2-chloro-5-[(E)-2-nitroethenyl]thiophene is O=[N+]([O-])/C=C/c1ccc(Cl)s1.
What is the InChIKey of 2-chloro-5-[(E)-2-nitroethenyl]thiophene?
The InChIKey is IEFOBMWMGIWTAW-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H4ClNO2S/c7-6-2-1-5(11-6)3-4-8(9)10/h1-4H/b4-3+.
What are the key properties of 2-chloro-5-[(E)-2-nitroethenyl]thiophene?
2-chloro-5-[(E)-2-nitroethenyl]thiophene has a molecular weight of 189.62 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(E)-2-nitroethenyl]thiophene is sourced from PubChem (CID 818881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).