6-methyl-3-(phenylmethoxymethoxy)pyridine-2-carboxylic acid

C15H15NO4 — CID 102939706

IUPAC6-methyl-3-(phenylmethoxymethoxy)pyridine-2-carboxylic acid
SMILESCc1ccc(OCOCc2ccccc2)c(C(=O)O)n1
InChIInChI=1S/C15H15NO4/c1-11-7-8-13(14(16-11)15(17)18)20-10-19-9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,17,18)
InChIKeyJRTPBHFVYUHCHV-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.64
Rot. Bonds6

About 6-methyl-3-(phenylmethoxymethoxy)pyridine-2-carboxylic acid

6-methyl-3-(phenylmethoxymethoxy)pyridine-2-carboxylic acid (PubChem CID 102939706) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 6-methyl-3-(phenylmethoxymethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methyl-3-(phenylmethoxymethoxy)pyridine-2-carboxylic acid
PubChem CID102939706
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name6-methyl-3-(phenylmethoxymethoxy)pyridine-2-carboxylic acid
SMILESCc1ccc(OCOCc2ccccc2)c(C(=O)O)n1
InChIInChI=1S/C15H15NO4/c1-11-7-8-13(14(16-11)15(17)18)20-10-19-9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,17,18)
InChIKeyJRTPBHFVYUHCHV-UHFFFAOYSA-N
XLogP2.64
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate
CID 145241727
3-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-2-carboxylic acid
CID 79157238
1-[6-methyl-3-(phenylmethoxymethoxy)-2-pyridinyl]propan-2-amine
CID 102940231
4-methyl-3-(phenylmethoxymethoxy)benzoic acid
CID 102939348
cyclopentyl-(6-methyl-3-phenylmethoxy-2-pyridinyl)methanone
CID 161157461
3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid
CID 79158863
3-heptoxy-6-methylpyridine-2-carboxylic acid
CID 79156653
3-hexoxy-6-methylpyridine-2-carboxylic acid
CID 79156664
6-acetamido-3-phenylmethoxypyridine-2-carboxylic acid
CID 15239997
3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-6-methylpyridine-2-carboxylic acid
CID 79156299
6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 79156655
6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboxylic acid
CID 112589611

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(phenylmethoxymethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 6-methyl-3-(phenylmethoxymethoxy)pyridine-2-carboxylic acid (CID 102939706) is 6-methyl-3-(phenylmethoxymethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-methyl-3-(phenylmethoxymethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 6-methyl-3-(phenylmethoxymethoxy)pyridine-2-carboxylic acid is Cc1ccc(OCOCc2ccccc2)c(C(=O)O)n1.
What is the InChIKey of 6-methyl-3-(phenylmethoxymethoxy)pyridine-2-carboxylic acid?
The InChIKey is JRTPBHFVYUHCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-11-7-8-13(14(16-11)15(17)18)20-10-19-9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,17,18).
What are the key properties of 6-methyl-3-(phenylmethoxymethoxy)pyridine-2-carboxylic acid?
6-methyl-3-(phenylmethoxymethoxy)pyridine-2-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(phenylmethoxymethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 102939706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).