5-(3-formyl-4-pyridinyl)thiophene-2-carboxylic acid

C11H7NO3S — CID 165474376

IUPAC5-(3-formyl-4-pyridinyl)thiophene-2-carboxylic acid
SMILESO=Cc1cnccc1-c1ccc(C(=O)O)s1
InChIInChI=1S/C11H7NO3S/c13-6-7-5-12-4-3-8(7)9-1-2-10(16-9)11(14)15/h1-6H,(H,14,15)
InChIKeyWNMPFKKCTUDGRT-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.32
Rot. Bonds3

About 5-(3-formyl-4-pyridinyl)thiophene-2-carboxylic acid

5-(3-formyl-4-pyridinyl)thiophene-2-carboxylic acid (PubChem CID 165474376) has the molecular formula C11H7NO3S and a molecular weight of 233.25 g/mol. Its IUPAC name is 5-(3-formyl-4-pyridinyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-formyl-4-pyridinyl)thiophene-2-carboxylic acid
PubChem CID165474376
Molecular FormulaC11H7NO3S
Molecular Weight233.25 g/mol
Exact Mass233.01
IUPAC Name5-(3-formyl-4-pyridinyl)thiophene-2-carboxylic acid
SMILESO=Cc1cnccc1-c1ccc(C(=O)O)s1
InChIInChI=1S/C11H7NO3S/c13-6-7-5-12-4-3-8(7)9-1-2-10(16-9)11(14)15/h1-6H,(H,14,15)
InChIKeyWNMPFKKCTUDGRT-UHFFFAOYSA-N
XLogP2.32
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(Pyridin-2-yl)thiophene-2-carboxylic acid
CID 736482
4,5,6,7-Tetrahydro-2-(1H-pyrrol-1-yl)benzo(b)thiophene-3-carboxylic acid
CID 913166
5-(Thiophen-2-yl)nicotinic Acid
CID 2776322
3-[2-[(4-Methylcyclohexylidene)methyl]-3-pyridinyl]-5-phenylthiophene-2-carboxylic acid
CID 49863000
2-[(3-pyridinylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid
CID 880938
5-(6-Aminopyridin-3-yl)thiophene-2-carboxylic acid
CID 2052633
5-(Pyridin-3-yl)thiophene-2-carbaldehyde
CID 10899427
2-(2-formyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 754515
6-Methyl-3-pyridin-3-ylthieno[3,2-b]thiophene-5-carboxylic acid
CID 66561718
5-pyridin-3-ylthiophene-2-carboxylic Acid
CID 4739100
4-Phenylthieno[2,3-c]pyridine-2-carboxylic acid
CID 49830794
2-(Thiophen-2-yl)pyridine-4-carboxylic acid
CID 4739102

Frequently Asked Questions

What is the IUPAC name of 5-(3-formyl-4-pyridinyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(3-formyl-4-pyridinyl)thiophene-2-carboxylic acid (CID 165474376) is 5-(3-formyl-4-pyridinyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(3-formyl-4-pyridinyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(3-formyl-4-pyridinyl)thiophene-2-carboxylic acid is O=Cc1cnccc1-c1ccc(C(=O)O)s1.
What is the InChIKey of 5-(3-formyl-4-pyridinyl)thiophene-2-carboxylic acid?
The InChIKey is WNMPFKKCTUDGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO3S/c13-6-7-5-12-4-3-8(7)9-1-2-10(16-9)11(14)15/h1-6H,(H,14,15).
What are the key properties of 5-(3-formyl-4-pyridinyl)thiophene-2-carboxylic acid?
5-(3-formyl-4-pyridinyl)thiophene-2-carboxylic acid has a molecular weight of 233.25 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-formyl-4-pyridinyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 165474376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).