2-(4-nitrophenyl)thiophene-3-carbaldehyde

C11H7NO3S — CID 13313602

IUPAC2-(4-nitrophenyl)thiophene-3-carbaldehyde
SMILESO=Cc1ccsc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H7NO3S/c13-7-9-5-6-16-11(9)8-1-3-10(4-2-8)12(14)15/h1-7H
InChIKeySQINUOMRWLGPFW-UHFFFAOYSA-N
MW233.25 g/mol
LogP3.14
Rot. Bonds3

About 2-(4-nitrophenyl)thiophene-3-carbaldehyde

2-(4-nitrophenyl)thiophene-3-carbaldehyde (PubChem CID 13313602) has the molecular formula C11H7NO3S and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-(4-nitrophenyl)thiophene-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-nitrophenyl)thiophene-3-carbaldehyde
PubChem CID13313602
Molecular FormulaC11H7NO3S
Molecular Weight233.25 g/mol
Exact Mass233.01
IUPAC Name2-(4-nitrophenyl)thiophene-3-carbaldehyde
SMILESO=Cc1ccsc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H7NO3S/c13-7-9-5-6-16-11(9)8-1-3-10(4-2-8)12(14)15/h1-7H
InChIKeySQINUOMRWLGPFW-UHFFFAOYSA-N
XLogP3.14
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-Nitrophenyl)-3-(2-thienyl)-2-propen-1-one
CID 5377530
2-(4-Amino-3-nitrobenzoyl)thiophene
CID 2832020
(2E)-3-(3-nitrophenyl)-1-(thiophen-2-yl)prop-2-en-1-one
CID 5725884
3-(4-Nitrophenyl)-1-(2-thienyl)-2-propen-1-one
CID 6111883
5-(3-Nitrophenyl)thiophene-2-carbaldehyde
CID 390173
(E)-1-(4-methylphenyl)-3-(5-nitrothiophen-2-yl)prop-2-en-1-one
CID 12489431
(E)-1-(4-methylsulfanylphenyl)-3-(5-nitrothiophen-2-yl)prop-2-en-1-one
CID 137648387
2-(4-nitrophenyl)-N-(2-thienylcarbonylamino)acetamide
CID 809216
5-(4-Nitrophenyl)thiophene-2-carbaldehyde
CID 4739601
(E)-2-methyl-3-[4-(4-nitrophenyl)thiophen-2-yl]prop-2-enamide
CID 127032202
6-(4-Nitrophenyl)-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde
CID 24858818
5-Methyl-6-(4-nitrophenyl)-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde
CID 24858980

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)thiophene-3-carbaldehyde?
The IUPAC name of 2-(4-nitrophenyl)thiophene-3-carbaldehyde (CID 13313602) is 2-(4-nitrophenyl)thiophene-3-carbaldehyde.
What is the SMILES notation for 2-(4-nitrophenyl)thiophene-3-carbaldehyde?
The canonical SMILES for 2-(4-nitrophenyl)thiophene-3-carbaldehyde is O=Cc1ccsc1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-nitrophenyl)thiophene-3-carbaldehyde?
The InChIKey is SQINUOMRWLGPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO3S/c13-7-9-5-6-16-11(9)8-1-3-10(4-2-8)12(14)15/h1-7H.
What are the key properties of 2-(4-nitrophenyl)thiophene-3-carbaldehyde?
2-(4-nitrophenyl)thiophene-3-carbaldehyde has a molecular weight of 233.25 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)thiophene-3-carbaldehyde is sourced from PubChem (CID 13313602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).