6-methyl-3-phenylmethoxypyridine-2-carboxylic acid

C14H13NO3 — CID 20821390

IUPAC6-methyl-3-phenylmethoxypyridine-2-carboxylic acid
SMILESCc1ccc(OCc2ccccc2)c(C(=O)O)n1
InChIInChI=1S/C14H13NO3/c1-10-7-8-12(13(15-10)14(16)17)18-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,17)
InChIKeyXZMVARKVTQXUQD-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.67
Rot. Bonds4

About 6-methyl-3-phenylmethoxypyridine-2-carboxylic acid

6-methyl-3-phenylmethoxypyridine-2-carboxylic acid (PubChem CID 20821390) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 6-methyl-3-phenylmethoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methyl-3-phenylmethoxypyridine-2-carboxylic acid
PubChem CID20821390
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name6-methyl-3-phenylmethoxypyridine-2-carboxylic acid
SMILESCc1ccc(OCc2ccccc2)c(C(=O)O)n1
InChIInChI=1S/C14H13NO3/c1-10-7-8-12(13(15-10)14(16)17)18-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,17)
InChIKeyXZMVARKVTQXUQD-UHFFFAOYSA-N
XLogP2.67
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-phenylmethoxypyridine-2-carboxylic acid?
The IUPAC name of 6-methyl-3-phenylmethoxypyridine-2-carboxylic acid (CID 20821390) is 6-methyl-3-phenylmethoxypyridine-2-carboxylic acid.
What is the SMILES notation for 6-methyl-3-phenylmethoxypyridine-2-carboxylic acid?
The canonical SMILES for 6-methyl-3-phenylmethoxypyridine-2-carboxylic acid is Cc1ccc(OCc2ccccc2)c(C(=O)O)n1.
What is the InChIKey of 6-methyl-3-phenylmethoxypyridine-2-carboxylic acid?
The InChIKey is XZMVARKVTQXUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-10-7-8-12(13(15-10)14(16)17)18-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 6-methyl-3-phenylmethoxypyridine-2-carboxylic acid?
6-methyl-3-phenylmethoxypyridine-2-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-phenylmethoxypyridine-2-carboxylic acid is sourced from PubChem (CID 20821390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).