3-methyl-5-(4-phenylmethoxyphenyl)pyridine-2-carboxylic acid

C20H17NO3 — CID 170838715

IUPAC3-methyl-5-(4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
SMILESCc1cc(-c2ccc(OCc3ccccc3)cc2)cnc1C(=O)O
InChIInChI=1S/C20H17NO3/c1-14-11-17(12-21-19(14)20(22)23)16-7-9-18(10-8-16)24-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,23)
InChIKeyFJZFYLUQOJPIIJ-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.33
Rot. Bonds5

About 3-methyl-5-(4-phenylmethoxyphenyl)pyridine-2-carboxylic acid

3-methyl-5-(4-phenylmethoxyphenyl)pyridine-2-carboxylic acid (PubChem CID 170838715) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-methyl-5-(4-phenylmethoxyphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
PubChem CID170838715
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name3-methyl-5-(4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
SMILESCc1cc(-c2ccc(OCc3ccccc3)cc2)cnc1C(=O)O
InChIInChI=1S/C20H17NO3/c1-14-11-17(12-21-19(14)20(22)23)16-7-9-18(10-8-16)24-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,23)
InChIKeyFJZFYLUQOJPIIJ-UHFFFAOYSA-N
XLogP4.33
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-bis(phenylmethoxy)pyridine-2-carboxylic acid
CID 53487995
3-methyl-5-(4-phenylmethoxyphenyl)-1H-pyridin-2-one
CID 169490402
4-fluoro-5-methyl-3-phenylmethoxypyridine-2-carboxylic acid
CID 166140574
3-[(4-phenylphenoxy)methyl]benzoic acid
CID 18707489
4-phenylmethoxybenzoic acid
CID 68896574
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
2-benzyl-5-(4-phenylmethoxyphenyl)pyrimidine
CID 174577128
ethane;4-phenylmethoxyphthalic acid
CID 90802135
6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711644
2-methyl-6-[[3-[(4-phenylphenyl)methoxy]phenoxy]methyl]benzoic acid
CID 22241403
2-(2-methylpyrimidin-5-yl)-4-phenylmethoxybenzaldehyde
CID 172651179
2-carboxy-5-phenylmethoxyphenolate
CID 86309199

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-phenylmethoxyphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-methyl-5-(4-phenylmethoxyphenyl)pyridine-2-carboxylic acid (CID 170838715) is 3-methyl-5-(4-phenylmethoxyphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(4-phenylmethoxyphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-(4-phenylmethoxyphenyl)pyridine-2-carboxylic acid is Cc1cc(-c2ccc(OCc3ccccc3)cc2)cnc1C(=O)O.
What is the InChIKey of 3-methyl-5-(4-phenylmethoxyphenyl)pyridine-2-carboxylic acid?
The InChIKey is FJZFYLUQOJPIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-14-11-17(12-21-19(14)20(22)23)16-7-9-18(10-8-16)24-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,23).
What are the key properties of 3-methyl-5-(4-phenylmethoxyphenyl)pyridine-2-carboxylic acid?
3-methyl-5-(4-phenylmethoxyphenyl)pyridine-2-carboxylic acid has a molecular weight of 319.36 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-phenylmethoxyphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 170838715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).