6-(2-phenylethoxy)pyridine-2-carboxylic acid

C14H13NO3 — CID 115001122

IUPAC6-(2-phenylethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(OCCc2ccccc2)n1
InChIInChI=1S/C14H13NO3/c16-14(17)12-7-4-8-13(15-12)18-10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,17)
InChIKeyHOFPFRVUIUNZJN-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.40
Rot. Bonds5

About 6-(2-phenylethoxy)pyridine-2-carboxylic acid

6-(2-phenylethoxy)pyridine-2-carboxylic acid (PubChem CID 115001122) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 6-(2-phenylethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-phenylethoxy)pyridine-2-carboxylic acid
PubChem CID115001122
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name6-(2-phenylethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(OCCc2ccccc2)n1
InChIInChI=1S/C14H13NO3/c16-14(17)12-7-4-8-13(15-12)18-10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,17)
InChIKeyHOFPFRVUIUNZJN-UHFFFAOYSA-N
XLogP2.40
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2-phenylethoxy)pyridine-2-carboxylic acid (CID 115001122) is 6-(2-phenylethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-phenylethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-phenylethoxy)pyridine-2-carboxylic acid is O=C(O)c1cccc(OCCc2ccccc2)n1.
What is the InChIKey of 6-(2-phenylethoxy)pyridine-2-carboxylic acid?
The InChIKey is HOFPFRVUIUNZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c16-14(17)12-7-4-8-13(15-12)18-10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,17).
What are the key properties of 6-(2-phenylethoxy)pyridine-2-carboxylic acid?
6-(2-phenylethoxy)pyridine-2-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 115001122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).