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

C15H14ClNO2S — CID 123380798

IUPAC2-[5-(2-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]acetic acid
SMILESO=C(O)Cc1cc2c(s1)CCN(c1ccccc1Cl)C2
InChIInChI=1S/C15H14ClNO2S/c16-12-3-1-2-4-13(12)17-6-5-14-10(9-17)7-11(20-14)8-15(18)19/h1-4,7H,5-6,8-9H2,(H,18,19)
InChIKeyGHWRACGQAPWVCF-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.59
Rot. Bonds3

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

2-[5-(2-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]acetic acid (PubChem CID 123380798) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]acetic acid
PubChem CID123380798
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name2-[5-(2-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]acetic acid
SMILESO=C(O)Cc1cc2c(s1)CCN(c1ccccc1Cl)C2
InChIInChI=1S/C15H14ClNO2S/c16-12-3-1-2-4-13(12)17-6-5-14-10(9-17)7-11(20-14)8-15(18)19/h1-4,7H,5-6,8-9H2,(H,18,19)
InChIKeyGHWRACGQAPWVCF-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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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]acetic acid?
The IUPAC name of 2-[5-(2-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]acetic acid (CID 123380798) is 2-[5-(2-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]acetic acid?
The canonical SMILES for 2-[5-(2-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]acetic acid is O=C(O)Cc1cc2c(s1)CCN(c1ccccc1Cl)C2.
What is the InChIKey of 2-[5-(2-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]acetic acid?
The InChIKey is GHWRACGQAPWVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c16-12-3-1-2-4-13(12)17-6-5-14-10(9-17)7-11(20-14)8-15(18)19/h1-4,7H,5-6,8-9H2,(H,18,19).
What are the key properties of 2-[5-(2-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]acetic acid?
2-[5-(2-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-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-[5-(2-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]acetic acid is sourced from PubChem (CID 123380798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).