4-(5-chloro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid

C15H14ClNO3 — CID 81053396

IUPAC4-(5-chloro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(Oc2cc(Cl)ccc2C)c(C(=O)O)c(C)n1
InChIInChI=1S/C15H14ClNO3/c1-8-4-5-11(16)7-12(8)20-13-6-9(2)17-10(3)14(13)15(18)19/h4-7H,1-3H3,(H,18,19)
InChIKeyCURHPTVAKYIYSG-UHFFFAOYSA-N
MW291.73 g/mol
LogP4.15
Rot. Bonds3

About 4-(5-chloro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid

4-(5-chloro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 81053396) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 4-(5-chloro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(5-chloro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID81053396
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name4-(5-chloro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(Oc2cc(Cl)ccc2C)c(C(=O)O)c(C)n1
InChIInChI=1S/C15H14ClNO3/c1-8-4-5-11(16)7-12(8)20-13-6-9(2)17-10(3)14(13)15(18)19/h4-7H,1-3H3,(H,18,19)
InChIKeyCURHPTVAKYIYSG-UHFFFAOYSA-N
XLogP4.15
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4-(5-chloro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid (CID 81053396) is 4-(5-chloro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(5-chloro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(5-chloro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid is Cc1cc(Oc2cc(Cl)ccc2C)c(C(=O)O)c(C)n1.
What is the InChIKey of 4-(5-chloro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is CURHPTVAKYIYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-8-4-5-11(16)7-12(8)20-13-6-9(2)17-10(3)14(13)15(18)19/h4-7H,1-3H3,(H,18,19).
What are the key properties of 4-(5-chloro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid?
4-(5-chloro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 291.73 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 81053396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).