7-[4-(pyridin-2-ylmethyl)phenyl]heptanoic acid

C19H23NO2 — CID 15667407

IUPAC7-[4-(pyridin-2-ylmethyl)phenyl]heptanoic acid
SMILESO=C(O)CCCCCCc1ccc(Cc2ccccn2)cc1
InChIInChI=1S/C19H23NO2/c21-19(22)9-4-2-1-3-7-16-10-12-17(13-11-16)15-18-8-5-6-14-20-18/h5-6,8,10-14H,1-4,7,9,15H2,(H,21,22)
InChIKeyCAXSWFRSVVXNEL-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.25
Rot. Bonds9

About 7-[4-(pyridin-2-ylmethyl)phenyl]heptanoic acid

7-[4-(pyridin-2-ylmethyl)phenyl]heptanoic acid (PubChem CID 15667407) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 7-[4-(pyridin-2-ylmethyl)phenyl]heptanoic acid.

Molecular Properties

Compound Name7-[4-(pyridin-2-ylmethyl)phenyl]heptanoic acid
PubChem CID15667407
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name7-[4-(pyridin-2-ylmethyl)phenyl]heptanoic acid
SMILESO=C(O)CCCCCCc1ccc(Cc2ccccn2)cc1
InChIInChI=1S/C19H23NO2/c21-19(22)9-4-2-1-3-7-16-10-12-17(13-11-16)15-18-8-5-6-14-20-18/h5-6,8,10-14H,1-4,7,9,15H2,(H,21,22)
InChIKeyCAXSWFRSVVXNEL-UHFFFAOYSA-N
XLogP4.25
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.25
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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Frequently Asked Questions

What is the IUPAC name of 7-[4-(pyridin-2-ylmethyl)phenyl]heptanoic acid?
The IUPAC name of 7-[4-(pyridin-2-ylmethyl)phenyl]heptanoic acid (CID 15667407) is 7-[4-(pyridin-2-ylmethyl)phenyl]heptanoic acid.
What is the SMILES notation for 7-[4-(pyridin-2-ylmethyl)phenyl]heptanoic acid?
The canonical SMILES for 7-[4-(pyridin-2-ylmethyl)phenyl]heptanoic acid is O=C(O)CCCCCCc1ccc(Cc2ccccn2)cc1.
What is the InChIKey of 7-[4-(pyridin-2-ylmethyl)phenyl]heptanoic acid?
The InChIKey is CAXSWFRSVVXNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c21-19(22)9-4-2-1-3-7-16-10-12-17(13-11-16)15-18-8-5-6-14-20-18/h5-6,8,10-14H,1-4,7,9,15H2,(H,21,22).
What are the key properties of 7-[4-(pyridin-2-ylmethyl)phenyl]heptanoic acid?
7-[4-(pyridin-2-ylmethyl)phenyl]heptanoic acid has a molecular weight of 297.40 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(pyridin-2-ylmethyl)phenyl]heptanoic acid is sourced from PubChem (CID 15667407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).