6-ethyl-4-(4-methoxy-2-methylphenyl)pyridine-2-carboxylic acid

C16H17NO3 — CID 154596910

IUPAC6-ethyl-4-(4-methoxy-2-methylphenyl)pyridine-2-carboxylic acid
SMILESCCc1cc(-c2ccc(OC)cc2C)cc(C(=O)O)n1
InChIInChI=1S/C16H17NO3/c1-4-12-8-11(9-15(17-12)16(18)19)14-6-5-13(20-3)7-10(14)2/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyVYZMZZHUOZGEHY-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.33
Rot. Bonds4

About 6-ethyl-4-(4-methoxy-2-methylphenyl)pyridine-2-carboxylic acid

6-ethyl-4-(4-methoxy-2-methylphenyl)pyridine-2-carboxylic acid (PubChem CID 154596910) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-ethyl-4-(4-methoxy-2-methylphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-4-(4-methoxy-2-methylphenyl)pyridine-2-carboxylic acid
PubChem CID154596910
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name6-ethyl-4-(4-methoxy-2-methylphenyl)pyridine-2-carboxylic acid
SMILESCCc1cc(-c2ccc(OC)cc2C)cc(C(=O)O)n1
InChIInChI=1S/C16H17NO3/c1-4-12-8-11(9-15(17-12)16(18)19)14-6-5-13(20-3)7-10(14)2/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyVYZMZZHUOZGEHY-UHFFFAOYSA-N
XLogP3.33
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(4-methoxy-2-methylphenyl)benzoic acid
CID 53226266
dimethyl 4-(2-methyl-4-sulfanyloxyphenyl)pyridine-2,6-dicarboxylate
CID 137402900
(2S)-2-amino-3-[4-(4-methoxy-2-methylphenyl)phenyl]propanoic acid
CID 67243066
4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53226268
4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53211212
3-methoxy-5-(4-methoxy-2-methylphenyl)phenol
CID 53220859
3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid
CID 81476317
3-(4-methoxy-2-methylphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 67316601
5-(4-ethoxy-2-methylphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53223715
5-(4-methoxy-2-methylphenyl)furan-2-carboxylic acid
CID 62502482
4-(6-methoxynaphthalen-2-yl)pyridine-2-carboxylic acid
CID 58138528
4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 121414715

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-(4-methoxy-2-methylphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-ethyl-4-(4-methoxy-2-methylphenyl)pyridine-2-carboxylic acid (CID 154596910) is 6-ethyl-4-(4-methoxy-2-methylphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-ethyl-4-(4-methoxy-2-methylphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-ethyl-4-(4-methoxy-2-methylphenyl)pyridine-2-carboxylic acid is CCc1cc(-c2ccc(OC)cc2C)cc(C(=O)O)n1.
What is the InChIKey of 6-ethyl-4-(4-methoxy-2-methylphenyl)pyridine-2-carboxylic acid?
The InChIKey is VYZMZZHUOZGEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-4-12-8-11(9-15(17-12)16(18)19)14-6-5-13(20-3)7-10(14)2/h5-9H,4H2,1-3H3,(H,18,19).
What are the key properties of 6-ethyl-4-(4-methoxy-2-methylphenyl)pyridine-2-carboxylic acid?
6-ethyl-4-(4-methoxy-2-methylphenyl)pyridine-2-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-(4-methoxy-2-methylphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 154596910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).