2-chloro-6-(4-chloro-3,5-dimethylphenoxy)pyridine-4-carboxylic acid

C14H11Cl2NO3 — CID 43369927

IUPAC2-chloro-6-(4-chloro-3,5-dimethylphenoxy)pyridine-4-carboxylic acid
SMILESCc1cc(Oc2cc(C(=O)O)cc(Cl)n2)cc(C)c1Cl
InChIInChI=1S/C14H11Cl2NO3/c1-7-3-10(4-8(2)13(7)16)20-12-6-9(14(18)19)5-11(15)17-12/h3-6H,1-2H3,(H,18,19)
InChIKeyMOAJTIIFZHUHOF-UHFFFAOYSA-N
MW312.15 g/mol
LogP4.50
Rot. Bonds3

About 2-chloro-6-(4-chloro-3,5-dimethylphenoxy)pyridine-4-carboxylic acid

2-chloro-6-(4-chloro-3,5-dimethylphenoxy)pyridine-4-carboxylic acid (PubChem CID 43369927) has the molecular formula C14H11Cl2NO3 and a molecular weight of 312.15 g/mol. Its IUPAC name is 2-chloro-6-(4-chloro-3,5-dimethylphenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(4-chloro-3,5-dimethylphenoxy)pyridine-4-carboxylic acid
PubChem CID43369927
Molecular FormulaC14H11Cl2NO3
Molecular Weight312.15 g/mol
Exact Mass311.01
IUPAC Name2-chloro-6-(4-chloro-3,5-dimethylphenoxy)pyridine-4-carboxylic acid
SMILESCc1cc(Oc2cc(C(=O)O)cc(Cl)n2)cc(C)c1Cl
InChIInChI=1S/C14H11Cl2NO3/c1-7-3-10(4-8(2)13(7)16)20-12-6-9(14(18)19)5-11(15)17-12/h3-6H,1-2H3,(H,18,19)
InChIKeyMOAJTIIFZHUHOF-UHFFFAOYSA-N
XLogP4.50
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 43343550
2-chloro-6-methoxypyridine-4-carboxylic acid;ethane
CID 143103207
2-chloro-6-(4-chloro-3,5-dimethylphenoxy)pyrazine
CID 54915224
2-chloro-6-(3-ethylphenoxy)pyridine-4-carboxylic acid
CID 43166912
2-chloro-6-(3-propan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 43343545
2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 43352053
2-(2-bromo-4-methylphenoxy)-6-chloropyridine-4-carboxylic acid
CID 43343579
2-chloro-6-propoxypyridine-4-carboxylic acid
CID 43247945
6-chloro-2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 63376629
2,6-dichloropyridine-4-carboxylic acid;iron
CID 174504494
2-chloro-6-(2-iodophenoxy)pyridine-4-carboxylic acid
CID 43479681
2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carboxylic acid
CID 113378263

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-chloro-3,5-dimethylphenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(4-chloro-3,5-dimethylphenoxy)pyridine-4-carboxylic acid (CID 43369927) is 2-chloro-6-(4-chloro-3,5-dimethylphenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(4-chloro-3,5-dimethylphenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(4-chloro-3,5-dimethylphenoxy)pyridine-4-carboxylic acid is Cc1cc(Oc2cc(C(=O)O)cc(Cl)n2)cc(C)c1Cl.
What is the InChIKey of 2-chloro-6-(4-chloro-3,5-dimethylphenoxy)pyridine-4-carboxylic acid?
The InChIKey is MOAJTIIFZHUHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3/c1-7-3-10(4-8(2)13(7)16)20-12-6-9(14(18)19)5-11(15)17-12/h3-6H,1-2H3,(H,18,19).
What are the key properties of 2-chloro-6-(4-chloro-3,5-dimethylphenoxy)pyridine-4-carboxylic acid?
2-chloro-6-(4-chloro-3,5-dimethylphenoxy)pyridine-4-carboxylic acid has a molecular weight of 312.15 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-chloro-3,5-dimethylphenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 43369927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).