4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid

C10H11NO2S — CID 23149911

IUPAC4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1CC=C(c2cccs2)CC1
InChIInChI=1S/C10H11NO2S/c12-10(13)11-5-3-8(4-6-11)9-2-1-7-14-9/h1-3,7H,4-6H2,(H,12,13)
InChIKeyCBRSQIRWWMNKGQ-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.52
Rot. Bonds1

About 4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid

4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 23149911) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID23149911
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1CC=C(c2cccs2)CC1
InChIInChI=1S/C10H11NO2S/c12-10(13)11-5-3-8(4-6-11)9-2-1-7-14-9/h1-3,7H,4-6H2,(H,12,13)
InChIKeyCBRSQIRWWMNKGQ-UHFFFAOYSA-N
XLogP2.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-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

1-Methyl-4-(2-thienyl)-1,2,3,6-tetrahydropyridine
CID 133448
1-Methyl-4-[(thiophen-2-yl)methyl]-1,2,3,6-tetrahydropyridine
CID 14743047
Methyl 7-thiophen-2-yl-1,4-thiazepane-4-carboxylate
CID 155511200
methyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
CID 145714287
Thiophen-3-ylmethyl-[(2,4,5-trifluorophenyl)methyl]carbamic acid
CID 68903867
4-[3-(Trifluoromethyl)thiophen-2-yl]piperidine-1-carboxylic acid
CID 174663853
4-[5-(trifluoromethyl)thiophen-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 176274821
4-(Thiophen-3-ylmethyl)piperidine-1-carboxylic acid
CID 21100687
6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid
CID 21325969
4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149838
4-(5-chlorothiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149960
1-Ethoxycarbonyl-4-(thiophene-2-yl)-1,2,5,6-tetrahydropyridine
CID 23160544

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 23149911) is 4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid is O=C(O)N1CC=C(c2cccs2)CC1.
What is the InChIKey of 4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is CBRSQIRWWMNKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c12-10(13)11-5-3-8(4-6-11)9-2-1-7-14-9/h1-3,7H,4-6H2,(H,12,13).
What are the key properties of 4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 209.27 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 23149911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).