(Z)-7-pyridin-3-yl-7-thiophen-3-ylhept-6-enoic acid

C16H17NO2S — CID 13417286

IUPAC(Z)-7-pyridin-3-yl-7-thiophen-3-ylhept-6-enoic acid
SMILESO=C(O)CCCC/C=C(/c1cccnc1)c1ccsc1
InChIInChI=1S/C16H17NO2S/c18-16(19)7-3-1-2-6-15(14-8-10-20-12-14)13-5-4-9-17-11-13/h4-6,8-12H,1-3,7H2,(H,18,19)/b15-6-
InChIKeyAUHWGTZWSCJFAG-UUASQNMZSA-N
MW287.38 g/mol
LogP4.22
Rot. Bonds7

About (Z)-7-pyridin-3-yl-7-thiophen-3-ylhept-6-enoic acid

(Z)-7-pyridin-3-yl-7-thiophen-3-ylhept-6-enoic acid (PubChem CID 13417286) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is (Z)-7-pyridin-3-yl-7-thiophen-3-ylhept-6-enoic acid.

Molecular Properties

Compound Name(Z)-7-pyridin-3-yl-7-thiophen-3-ylhept-6-enoic acid
PubChem CID13417286
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name(Z)-7-pyridin-3-yl-7-thiophen-3-ylhept-6-enoic acid
SMILESO=C(O)CCCC/C=C(/c1cccnc1)c1ccsc1
InChIInChI=1S/C16H17NO2S/c18-16(19)7-3-1-2-6-15(14-8-10-20-12-14)13-5-4-9-17-11-13/h4-6,8-12H,1-3,7H2,(H,18,19)/b15-6-
InChIKeyAUHWGTZWSCJFAG-UUASQNMZSA-N
XLogP4.22
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (Z)-7-pyridin-3-yl-7-thiophen-3-ylhept-6-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Isbogrel
CID 5284442
3-(3-Methylthiophen-2-yl)pyridine
CID 23646069
(Z)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
CID 6537201
3-[1-(2-phenylethyl)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid
CID 893906
3-[3-(2-Benzenesulfonyl-ethyl)-5-pyridin-3-ylmethyl-phenyl]-propionic acid
CID 10549479
3-[3-(3-Benzenesulfonyl-propyl)-5-pyridin-3-ylmethyl-phenyl]-propionic acid
CID 11796543
(E)-3-[5-(pyridin-3-ylmethyl)thiophen-2-yl]prop-2-enoic acid;hydrochloride
CID 12904586
(E)-2-methyl-3-[5-(pyridin-3-ylmethyl)thiophen-2-yl]prop-2-enoic acid;hydrochloride
CID 12904588
7-Pyridin-3-yl-7-thiophen-2-yl-hept-6-enoic acid
CID 13285833
(Z)-7-(3-pyridyl)-7-(2-thienyl)-6-heptenoic acid
CID 13285834
2,2-Dimethyl-7-pyridin-3-yl-7-thiophen-2-yl-hept-6-enoic acid
CID 13417295
(Z)-2,2-dimethyl-7-(3-pyridyl)-7-(2-thienyl)-6-heptenoic acid
CID 13417296

Frequently Asked Questions

What is the IUPAC name of (Z)-7-pyridin-3-yl-7-thiophen-3-ylhept-6-enoic acid?
The IUPAC name of (Z)-7-pyridin-3-yl-7-thiophen-3-ylhept-6-enoic acid (CID 13417286) is (Z)-7-pyridin-3-yl-7-thiophen-3-ylhept-6-enoic acid.
What is the SMILES notation for (Z)-7-pyridin-3-yl-7-thiophen-3-ylhept-6-enoic acid?
The canonical SMILES for (Z)-7-pyridin-3-yl-7-thiophen-3-ylhept-6-enoic acid is O=C(O)CCCC/C=C(/c1cccnc1)c1ccsc1.
What is the InChIKey of (Z)-7-pyridin-3-yl-7-thiophen-3-ylhept-6-enoic acid?
The InChIKey is AUHWGTZWSCJFAG-UUASQNMZSA-N. The full InChI is InChI=1S/C16H17NO2S/c18-16(19)7-3-1-2-6-15(14-8-10-20-12-14)13-5-4-9-17-11-13/h4-6,8-12H,1-3,7H2,(H,18,19)/b15-6-.
What are the key properties of (Z)-7-pyridin-3-yl-7-thiophen-3-ylhept-6-enoic acid?
(Z)-7-pyridin-3-yl-7-thiophen-3-ylhept-6-enoic acid has a molecular weight of 287.38 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-pyridin-3-yl-7-thiophen-3-ylhept-6-enoic acid is sourced from PubChem (CID 13417286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).