2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid

C16H17NO4 — CID 107668753

IUPAC2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid
SMILESCCc1ccc(Oc2nc(C)ccc2C(=O)O)c(OC)c1
InChIInChI=1S/C16H17NO4/c1-4-11-6-8-13(14(9-11)20-3)21-15-12(16(18)19)7-5-10(2)17-15/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyJNBMSJWTTQJTSD-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.45
Rot. Bonds5

About 2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid

2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid (PubChem CID 107668753) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid
PubChem CID107668753
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid
SMILESCCc1ccc(Oc2nc(C)ccc2C(=O)O)c(OC)c1
InChIInChI=1S/C16H17NO4/c1-4-11-6-8-13(14(9-11)20-3)21-15-12(16(18)19)7-5-10(2)17-15/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyJNBMSJWTTQJTSD-UHFFFAOYSA-N
XLogP3.45
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridin-3-amine
CID 107663831
4-ethyl-2-methoxybenzoic acid
CID 18687349
2-(2,5-dibromo-4-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid
CID 79407873
4-(4-ethyl-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 107664132
5-ethyl-2-methoxybenzoic acid
CID 20721149
2-methoxy-6-methylpyridine-3-carboxylic acid
CID 22494228
5-chloro-6-(4-ethyl-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 107664153
2-amino-3-(4-ethyl-2-methoxyphenoxy)benzoic acid
CID 107667476
3-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridazine-4-carboxylic acid
CID 107744881
[2-(4-ethyl-2-methoxyphenoxy)-6-methyl-4-pyridinyl]methanamine
CID 107663652
4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzoic acid
CID 70358650
2-(2-fluoro-5-methylphenoxy)-6-methylpyridine-3-carboxylic acid
CID 64856053

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid (CID 107668753) is 2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid is CCc1ccc(Oc2nc(C)ccc2C(=O)O)c(OC)c1.
What is the InChIKey of 2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid?
The InChIKey is JNBMSJWTTQJTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-4-11-6-8-13(14(9-11)20-3)21-15-12(16(18)19)7-5-10(2)17-15/h5-9H,4H2,1-3H3,(H,18,19).
What are the key properties of 2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid?
2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 107668753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).