4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid

C11H13NO2S — CID 23149838

IUPAC4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCc1ccsc1C1=CCN(C(=O)O)CC1
InChIInChI=1S/C11H13NO2S/c1-8-4-7-15-10(8)9-2-5-12(6-3-9)11(13)14/h2,4,7H,3,5-6H2,1H3,(H,13,14)
InChIKeyQXZLQLHXGJBQKQ-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.82
Rot. Bonds1

About 4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid

4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 23149838) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID23149838
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCc1ccsc1C1=CCN(C(=O)O)CC1
InChIInChI=1S/C11H13NO2S/c1-8-4-7-15-10(8)9-2-5-12(6-3-9)11(13)14/h2,4,7H,3,5-6H2,1H3,(H,13,14)
InChIKeyQXZLQLHXGJBQKQ-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 23149838) is 4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is Cc1ccsc1C1=CCN(C(=O)O)CC1.
What is the InChIKey of 4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is QXZLQLHXGJBQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-8-4-7-15-10(8)9-2-5-12(6-3-9)11(13)14/h2,4,7H,3,5-6H2,1H3,(H,13,14).
What are the key properties of 4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 223.30 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 23149838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).