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

C14H12ClNO3 — CID 63376771

IUPAC6-chloro-2-(3,5-dimethylphenoxy)pyridine-3-carboxylic acid
SMILESCc1cc(C)cc(Oc2nc(Cl)ccc2C(=O)O)c1
InChIInChI=1S/C14H12ClNO3/c1-8-5-9(2)7-10(6-8)19-13-11(14(17)18)3-4-12(15)16-13/h3-7H,1-2H3,(H,17,18)
InChIKeyXRRKENYSYPWETM-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.84
Rot. Bonds3

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

6-chloro-2-(3,5-dimethylphenoxy)pyridine-3-carboxylic acid (PubChem CID 63376771) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 6-chloro-2-(3,5-dimethylphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(3,5-dimethylphenoxy)pyridine-3-carboxylic acid
PubChem CID63376771
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name6-chloro-2-(3,5-dimethylphenoxy)pyridine-3-carboxylic acid
SMILESCc1cc(C)cc(Oc2nc(Cl)ccc2C(=O)O)c1
InChIInChI=1S/C14H12ClNO3/c1-8-5-9(2)7-10(6-8)19-13-11(14(17)18)3-4-12(15)16-13/h3-7H,1-2H3,(H,17,18)
InChIKeyXRRKENYSYPWETM-UHFFFAOYSA-N
XLogP3.84
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.84
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

6-chloro-2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 63376629
6-chloro-2-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid
CID 63376747
6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 63376924
6-chloro-2-phenoxypyridine-3-carboxylic acid
CID 63376812
6-chloro-2-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
CID 55183255
6-chloro-2-(4-chloro-3-ethylphenoxy)pyridine-3-carboxylic acid
CID 63376630
6-chloro-2-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 63376748
6-chloro-2-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid
CID 63376846
6-chloro-2-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
CID 63376513
2-(4-bromo-2-chlorophenoxy)-6-chloropyridine-3-carboxylic acid
CID 63376889
6-chloro-2-(2-fluorophenoxy)pyridine-3-carboxylic acid
CID 55185255
2-(3,4-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid
CID 62703441

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3,5-dimethylphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(3,5-dimethylphenoxy)pyridine-3-carboxylic acid (CID 63376771) is 6-chloro-2-(3,5-dimethylphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(3,5-dimethylphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(3,5-dimethylphenoxy)pyridine-3-carboxylic acid is Cc1cc(C)cc(Oc2nc(Cl)ccc2C(=O)O)c1.
What is the InChIKey of 6-chloro-2-(3,5-dimethylphenoxy)pyridine-3-carboxylic acid?
The InChIKey is XRRKENYSYPWETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-8-5-9(2)7-10(6-8)19-13-11(14(17)18)3-4-12(15)16-13/h3-7H,1-2H3,(H,17,18).
What are the key properties of 6-chloro-2-(3,5-dimethylphenoxy)pyridine-3-carboxylic acid?
6-chloro-2-(3,5-dimethylphenoxy)pyridine-3-carboxylic acid has a molecular weight of 277.71 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3,5-dimethylphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 63376771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).