2-formyl-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid

C10H11NO3S — CID 175056234

IUPAC2-formyl-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid
SMILESCC1c2sc(C=O)cc2CCN1C(=O)O
InChIInChI=1S/C10H11NO3S/c1-6-9-7(4-8(5-12)15-9)2-3-11(6)10(13)14/h4-6H,2-3H2,1H3,(H,13,14)
InChIKeyODLJAIRPBMHWCD-UHFFFAOYSA-N
MW225.27 g/mol
LogP2.16
Rot. Bonds1

About 2-formyl-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid

2-formyl-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid (PubChem CID 175056234) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-formyl-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-formyl-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid
PubChem CID175056234
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name2-formyl-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid
SMILESCC1c2sc(C=O)cc2CCN1C(=O)O
InChIInChI=1S/C10H11NO3S/c1-6-9-7(4-8(5-12)15-9)2-3-11(6)10(13)14/h4-6H,2-3H2,1H3,(H,13,14)
InChIKeyODLJAIRPBMHWCD-UHFFFAOYSA-N
XLogP2.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-formyl-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,2-dimethylpropanoyl)-N-hydroxy-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
CID 58157594
tert-butyl 2-formyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate
CID 11845085
tert-Butyl 2-formyl-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate
CID 18670293
5-acetyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carbaldehyde
CID 21941464
N,N-dimethyl-5-[4-(1-piperidinyl)butanoyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
CID 72908318
N,N-dimethyl-5-[3-(1-methyl-3-piperidinyl)propanoyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
CID 72909816
5-[(1-ethyl-4-piperidinyl)acetyl]-N,N-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
CID 72932907
N-methyl-N-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 4136082
5-acetyl-N-propyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
CID 53014483
5-acetyl-N-butyl-N-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
CID 53158802
5-acetyl-N-(3-methoxypropyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
CID 53158805
5-propanoyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53158844

Frequently Asked Questions

What is the IUPAC name of 2-formyl-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid?
The IUPAC name of 2-formyl-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid (CID 175056234) is 2-formyl-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-formyl-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid?
The canonical SMILES for 2-formyl-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid is CC1c2sc(C=O)cc2CCN1C(=O)O.
What is the InChIKey of 2-formyl-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid?
The InChIKey is ODLJAIRPBMHWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c1-6-9-7(4-8(5-12)15-9)2-3-11(6)10(13)14/h4-6H,2-3H2,1H3,(H,13,14).
What are the key properties of 2-formyl-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid?
2-formyl-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid has a molecular weight of 225.27 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 175056234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).