(E)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid

C18H19NO2 — CID 5284442

IUPAC(E)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
SMILESO=C(O)CCCC/C=C(\c1ccccc1)c1cccnc1
InChIInChI=1S/C18H19NO2/c20-18(21)12-6-2-5-11-17(15-8-3-1-4-9-15)16-10-7-13-19-14-16/h1,3-4,7-11,13-14H,2,5-6,12H2,(H,20,21)/b17-11+
InChIKeyUWPBQLKEHGGKKD-GZTJUZNOSA-N
MW281.36 g/mol
LogP4.16
Rot. Bonds7

About (E)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid

(E)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid (PubChem CID 5284442) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (E)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid.

Molecular Properties

Compound Name(E)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
PubChem CID5284442
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(E)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
SMILESO=C(O)CCCC/C=C(\c1ccccc1)c1cccnc1
InChIInChI=1S/C18H19NO2/c20-18(21)12-6-2-5-11-17(15-8-3-1-4-9-15)16-10-7-13-19-14-16/h1,3-4,7-11,13-14H,2,5-6,12H2,(H,20,21)/b17-11+
InChIKeyUWPBQLKEHGGKKD-GZTJUZNOSA-N
XLogP4.16
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 108
Ridogrel
CID 5362391
Acetic acid, (p-(1-pyrrolyl)phenyl)-
CID 30923
Oky-1581
CID 23663937
(2E)-2-[(4-methoxy-2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methylidene]-7-pyridin-3-ylheptanoic acid
CID 9843006
3-(Pyridin-3-yl)benzoic acid
CID 2795575
3-(Pyridin-4-yl)propanoic acid
CID 233243
L-4-Pyridylalanine
CID 7009701
3-(Pyridin-3-yl)propanoic acid
CID 259624
3-phenyl-3-(1H-pyrrol-1-yl)propanoic acid
CID 3238289
1-(10-Carboxydecyl)pyridin-1-ium bromide
CID 16682529
Ethyl 3-pyridylacetate
CID 96490

Frequently Asked Questions

What is the IUPAC name of (E)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid?
The IUPAC name of (E)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid (CID 5284442) is (E)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid.
What is the SMILES notation for (E)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid?
The canonical SMILES for (E)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid is O=C(O)CCCC/C=C(\c1ccccc1)c1cccnc1.
What is the InChIKey of (E)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid?
The InChIKey is UWPBQLKEHGGKKD-GZTJUZNOSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18(21)12-6-2-5-11-17(15-8-3-1-4-9-15)16-10-7-13-19-14-16/h1,3-4,7-11,13-14H,2,5-6,12H2,(H,20,21)/b17-11+.
What are the key properties of (E)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid?
(E)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid has a molecular weight of 281.36 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid is sourced from PubChem (CID 5284442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).