2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid

C15H15NO3 — CID 81053468

IUPAC2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid
SMILESCc1cc(OCc2ccccc2)c(C(=O)O)c(C)n1
InChIInChI=1S/C15H15NO3/c1-10-8-13(14(15(17)18)11(2)16-10)19-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyBTSUJPUVIDREPT-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.98
Rot. Bonds4

About 2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid

2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid (PubChem CID 81053468) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid
PubChem CID81053468
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid
SMILESCc1cc(OCc2ccccc2)c(C(=O)O)c(C)n1
InChIInChI=1S/C15H15NO3/c1-10-8-13(14(15(17)18)11(2)16-10)19-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyBTSUJPUVIDREPT-UHFFFAOYSA-N
XLogP2.98
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylic acid
CID 14950487
2,6-dimethyl-4-pentoxypyridine-3-carboxylic acid
CID 81053245
2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carboxylic acid
CID 81037807
2,4-dihydroperoxy-6-phenylmethoxybenzoic acid
CID 166486054
2,4-dimethoxy-6-phenylmethoxybenzoic acid
CID 70481203
4-(3-methoxy-3-methylbutoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 106668269
3-(4-methoxyphenyl)-2,6-dimethyl-4-phenylmethoxypyridine
CID 15171436
1-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)ethanone
CID 118546342
2-fluoro-6-methyl-3-phenylmethoxybenzoic acid
CID 67053712
1-(4-methyl-6-phenylmethoxypyrimidin-2-yl)ethanone
CID 170640785
2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid
CID 81051961
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid?
The IUPAC name of 2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid (CID 81053468) is 2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid.
What is the SMILES notation for 2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid?
The canonical SMILES for 2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid is Cc1cc(OCc2ccccc2)c(C(=O)O)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid?
The InChIKey is BTSUJPUVIDREPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-8-13(14(15(17)18)11(2)16-10)19-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of 2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid?
2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid is sourced from PubChem (CID 81053468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).