4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid

C19H15NO3 — CID 53229665

IUPAC4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1-c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C19H15NO3/c21-19(22)18-12-20-10-9-17(18)15-7-4-8-16(11-15)23-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,21,22)
InChIKeyWNCYXMSNNPEGTI-UHFFFAOYSA-N
MW305.33 g/mol
LogP4.03
Rot. Bonds5

About 4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid

4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid (PubChem CID 53229665) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid
PubChem CID53229665
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1-c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C19H15NO3/c21-19(22)18-12-20-10-9-17(18)15-7-4-8-16(11-15)23-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,21,22)
InChIKeyWNCYXMSNNPEGTI-UHFFFAOYSA-N
XLogP4.03
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid
CID 171390969
2-methyl-3-(3-phenylmethoxyphenyl)benzoic acid
CID 53228681
2-(3-phenylmethoxyphenyl)-4-(trifluoromethyl)benzoic acid
CID 172648598
4-(3-acetylphenyl)pyridine-3-carboxylic acid
CID 53229293
methyl 2-amino-5-(3-phenylmethoxyphenyl)pyridine-4-carboxylate
CID 172649588
3-(3-phenylmethoxyphenyl)-2-propan-2-ylpyridine
CID 71204410
4-(3,5-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 53229470
4-methyl-5-(3-phenylmethoxyphenyl)pyridin-3-amine
CID 178203209
2-phenylmethoxy-4-pyridin-3-ylbenzoic acid
CID 66989978
7-(3-phenylmethoxyphenyl)-1H-indole-2-carboxylic acid
CID 171663125
3,4-difluoro-5-(3-phenylmethoxyphenyl)benzamide
CID 172648851
2-carboxy-5-phenylmethoxyphenolate
CID 86309199

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid (CID 53229665) is 4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid is O=C(O)c1cnccc1-c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid?
The InChIKey is WNCYXMSNNPEGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c21-19(22)18-12-20-10-9-17(18)15-7-4-8-16(11-15)23-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,21,22).
What are the key properties of 4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid?
4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53229665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).