3,5-bis(phenylmethoxy)pyridine-2-carboxylic acid

C20H17NO4 — CID 53487995

IUPAC3,5-bis(phenylmethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C20H17NO4/c22-20(23)19-18(25-14-16-9-5-2-6-10-16)11-17(12-21-19)24-13-15-7-3-1-4-8-15/h1-12H,13-14H2,(H,22,23)
InChIKeyOEJYKWLDGWAOIF-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.94
Rot. Bonds7

About 3,5-bis(phenylmethoxy)pyridine-2-carboxylic acid

3,5-bis(phenylmethoxy)pyridine-2-carboxylic acid (PubChem CID 53487995) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 3,5-bis(phenylmethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3,5-bis(phenylmethoxy)pyridine-2-carboxylic acid
PubChem CID53487995
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name3,5-bis(phenylmethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C20H17NO4/c22-20(23)19-18(25-14-16-9-5-2-6-10-16)11-17(12-21-19)24-13-15-7-3-1-4-8-15/h1-12H,13-14H2,(H,22,23)
InChIKeyOEJYKWLDGWAOIF-UHFFFAOYSA-N
XLogP3.94
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-ethoxyphenyl)carbamoyl]-3-phenylmethoxypyridine-2-carboxylic acid
CID 22923804
2,4-dihydroperoxy-6-phenylmethoxybenzoic acid
CID 166486054
3-methyl-5-(4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
CID 170838715
3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid
CID 54512111
6-phenoxy-3-phenylmethoxyquinoline-2-carboxylic acid
CID 19692180
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184
2,4-dimethoxy-6-phenylmethoxybenzoic acid
CID 70481203
4-phenylmethoxybenzoic acid
CID 68896574
1-chloro-4-hydroxy-7-phenylmethoxyisoquinoline-3-carboxylic acid
CID 18698130
3,5-bis(phenylmethoxy)benzoate
CID 6986896
2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 71406162

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(phenylmethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 3,5-bis(phenylmethoxy)pyridine-2-carboxylic acid (CID 53487995) is 3,5-bis(phenylmethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3,5-bis(phenylmethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3,5-bis(phenylmethoxy)pyridine-2-carboxylic acid is O=C(O)c1ncc(OCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of 3,5-bis(phenylmethoxy)pyridine-2-carboxylic acid?
The InChIKey is OEJYKWLDGWAOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c22-20(23)19-18(25-14-16-9-5-2-6-10-16)11-17(12-21-19)24-13-15-7-3-1-4-8-15/h1-12H,13-14H2,(H,22,23).
What are the key properties of 3,5-bis(phenylmethoxy)pyridine-2-carboxylic acid?
3,5-bis(phenylmethoxy)pyridine-2-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(phenylmethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 53487995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).