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

C15H14ClNO2S — CID 176645091

IUPAC2-(3-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid
SMILESO=C(O)C(c1cccc(Cl)c1)N1CCc2sccc2C1
InChIInChI=1S/C15H14ClNO2S/c16-12-3-1-2-10(8-12)14(15(18)19)17-6-4-13-11(9-17)5-7-20-13/h1-3,5,7-8,14H,4,6,9H2,(H,18,19)
InChIKeyZESMVEIHKILIKB-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.59
Rot. Bonds3

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

2-(3-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid (PubChem CID 176645091) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid
PubChem CID176645091
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name2-(3-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid
SMILESO=C(O)C(c1cccc(Cl)c1)N1CCc2sccc2C1
InChIInChI=1S/C15H14ClNO2S/c16-12-3-1-2-10(8-12)14(15(18)19)17-6-4-13-11(9-17)5-7-20-13/h1-3,5,7-8,14H,4,6,9H2,(H,18,19)
InChIKeyZESMVEIHKILIKB-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

2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid;hydrochloride
CID 23106048
2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid;hydrate;hydrochloride
CID 70104720
(2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid;perchloric acid
CID 87203169
methyl (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetate
CID 59101625
1-(3-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol
CID 62624190
(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-fluorophenyl)acetic acid
CID 141122173
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid
CID 43101067
2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid;methyl acetate
CID 68877762
(1R)-1-(2-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-one
CID 59985948
2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]acetamide
CID 119853305
[(2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl] (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
CID 87956878
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-hydroxyphenyl)acetic acid
CID 84747211

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid?
The IUPAC name of 2-(3-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid (CID 176645091) is 2-(3-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid?
The canonical SMILES for 2-(3-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid is O=C(O)C(c1cccc(Cl)c1)N1CCc2sccc2C1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid?
The InChIKey is ZESMVEIHKILIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c16-12-3-1-2-10(8-12)14(15(18)19)17-6-4-13-11(9-17)5-7-20-13/h1-3,5,7-8,14H,4,6,9H2,(H,18,19).
What are the key properties of 2-(3-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid?
2-(3-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-(3-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid is sourced from PubChem (CID 176645091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).