2-(3,4-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid

C13H9Cl2NO3 — CID 62703441

IUPAC2-(3,4-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(Oc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H9Cl2NO3/c1-7-2-4-9(13(17)18)12(16-7)19-8-3-5-10(14)11(15)6-8/h2-6H,1H3,(H,17,18)
InChIKeyGNEWGHCFKLVMET-UHFFFAOYSA-N
MW298.13 g/mol
LogP4.19
Rot. Bonds3

About 2-(3,4-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid

2-(3,4-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid (PubChem CID 62703441) has the molecular formula C13H9Cl2NO3 and a molecular weight of 298.13 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid
PubChem CID62703441
Molecular FormulaC13H9Cl2NO3
Molecular Weight298.13 g/mol
Exact Mass297.00
IUPAC Name2-(3,4-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(Oc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H9Cl2NO3/c1-7-2-4-9(13(17)18)12(16-7)19-8-3-5-10(14)11(15)6-8/h2-6H,1H3,(H,17,18)
InChIKeyGNEWGHCFKLVMET-UHFFFAOYSA-N
XLogP4.19
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-difluorophenoxy)-6-methylpyridine-3-carboxylic acid
CID 62783634
2-(2,3-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid
CID 55107905
6-chloro-2-(4-chloro-3-ethylphenoxy)pyridine-3-carboxylic acid
CID 63376630
2-(3-ethoxyphenoxy)-6-methylpyridine-3-carboxylic acid
CID 62702428
6-methyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
CID 62701074
2-methoxy-6-methylpyridine-3-carboxylic acid
CID 22494228
6-chloro-2-(3,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 63376771
2-(4-chloro-3-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916421
6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 63376924
6-chloro-2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 63376629
2-amino-5-(3,4-dichlorophenoxy)benzoic acid
CID 61000632
6-chloro-2-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
CID 55183255

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-(3,4-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid (CID 62703441) is 2-(3,4-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(Oc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid?
The InChIKey is GNEWGHCFKLVMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO3/c1-7-2-4-9(13(17)18)12(16-7)19-8-3-5-10(14)11(15)6-8/h2-6H,1H3,(H,17,18).
What are the key properties of 2-(3,4-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid?
2-(3,4-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid has a molecular weight of 298.13 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 62703441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).