2-(3-methylthiophen-2-yl)-2-pyridin-2-ylacetic acid

C12H11NO2S — CID 116824724

IUPAC2-(3-methylthiophen-2-yl)-2-pyridin-2-ylacetic acid
SMILESCc1ccsc1C(C(=O)O)c1ccccn1
InChIInChI=1S/C12H11NO2S/c1-8-5-7-16-11(8)10(12(14)15)9-4-2-3-6-13-9/h2-7,10H,1H3,(H,14,15)
InChIKeyLWACLOXSFLLIQD-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.67
Rot. Bonds3

About 2-(3-methylthiophen-2-yl)-2-pyridin-2-ylacetic acid

2-(3-methylthiophen-2-yl)-2-pyridin-2-ylacetic acid (PubChem CID 116824724) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-2-pyridin-2-ylacetic acid.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-2-pyridin-2-ylacetic acid
PubChem CID116824724
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name2-(3-methylthiophen-2-yl)-2-pyridin-2-ylacetic acid
SMILESCc1ccsc1C(C(=O)O)c1ccccn1
InChIInChI=1S/C12H11NO2S/c1-8-5-7-16-11(8)10(12(14)15)9-4-2-3-6-13-9/h2-7,10H,1H3,(H,14,15)
InChIKeyLWACLOXSFLLIQD-UHFFFAOYSA-N
XLogP2.67
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylthiophen-2-yl)-pyridin-2-ylmethanamine
CID 79989254
2-(2-methylphenyl)-2-pyridin-2-ylacetic acid
CID 82040348
(1S)-1-(3-methylthiophen-2-yl)-N-[(S)-phenyl(pyridin-2-yl)methyl]ethanamine
CID 97073226
3-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 43007029
N-[1-(3-methylthiophen-2-yl)ethyl]pyridin-2-amine
CID 115916926
2-[(3-methylthiophen-2-yl)-piperidin-4-ylmethyl]pyridine
CID 175066665
3-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]butanoic acid
CID 103258388
ethyl 2-phenyl-2-pyridin-2-ylacetate
CID 10752615
2-iodo-2-pyridin-2-ylacetic acid
CID 143887294
5-(1-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylic acid
CID 64628864
2-(3-methylthiophen-2-yl)butanoic acid
CID 79991313
N-tert-butyl-2-phenyl-2-pyridin-2-ylacetamide
CID 110373379

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)-2-pyridin-2-ylacetic acid?
The IUPAC name of 2-(3-methylthiophen-2-yl)-2-pyridin-2-ylacetic acid (CID 116824724) is 2-(3-methylthiophen-2-yl)-2-pyridin-2-ylacetic acid.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-2-pyridin-2-ylacetic acid?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-2-pyridin-2-ylacetic acid is Cc1ccsc1C(C(=O)O)c1ccccn1.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-2-pyridin-2-ylacetic acid?
The InChIKey is LWACLOXSFLLIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-8-5-7-16-11(8)10(12(14)15)9-4-2-3-6-13-9/h2-7,10H,1H3,(H,14,15).
What are the key properties of 2-(3-methylthiophen-2-yl)-2-pyridin-2-ylacetic acid?
2-(3-methylthiophen-2-yl)-2-pyridin-2-ylacetic acid has a molecular weight of 233.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-2-pyridin-2-ylacetic acid is sourced from PubChem (CID 116824724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).