2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid

C15H14ClNO2S — CID 4129546

IUPAC2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid
SMILESO=C(O)C(c1ccccc1Cl)N1CCc2sccc2C1
InChIInChI=1S/C15H14ClNO2S/c16-12-4-2-1-3-11(12)14(15(18)19)17-7-5-13-10(9-17)6-8-20-13/h1-4,6,8,14H,5,7,9H2,(H,18,19)
InChIKeyDCASRSISIKYPDD-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.59
Rot. Bonds3

About 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid

2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid (PubChem CID 4129546) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid
PubChem CID4129546
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid
SMILESO=C(O)C(c1ccccc1Cl)N1CCc2sccc2C1
InChIInChI=1S/C15H14ClNO2S/c16-12-4-2-1-3-11(12)14(15(18)19)17-7-5-13-10(9-17)6-8-20-13/h1-4,6,8,14H,5,7,9H2,(H,18,19)
InChIKeyDCASRSISIKYPDD-UHFFFAOYSA-N
XLogP3.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 60606
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CID 115366
(RS)-Clopidogrel
CID 2806
Clopidogrel Hydrochloride
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(+-)-Clopidogrel bisulfate
CID 16757820
Clopidogrel carboxylic acid
CID 9861403
Clopidogrel Besylate
CID 9847991
Clopidogrel hydrobromide
CID 11304210
(R)-Clopidogrel
CID 667556
Plavix
CID 24883467
(R)-Clopidogrel bisulfate
CID 10002188
Methyl (2S)-2-(2-chlorophenyl)-2-((2-(thiophen-2-YL)ethyl)amino)acetate hydrochloride
CID 23635839

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid?
The IUPAC name of 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid (CID 4129546) is 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid?
The canonical SMILES for 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid is O=C(O)C(c1ccccc1Cl)N1CCc2sccc2C1.
What is the InChIKey of 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid?
The InChIKey is DCASRSISIKYPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c16-12-4-2-1-3-11(12)14(15(18)19)17-7-5-13-10(9-17)6-8-20-13/h1-4,6,8,14H,5,7,9H2,(H,18,19).
What are the key properties of 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid?
2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid has a molecular weight of 307.80 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid is sourced from PubChem (CID 4129546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).