4-(5-bromo-2-chlorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid

C14H11BrClNO3 — CID 81053475

IUPAC4-(5-bromo-2-chlorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(Oc2cc(Br)ccc2Cl)c(C(=O)O)c(C)n1
InChIInChI=1S/C14H11BrClNO3/c1-7-5-12(13(14(18)19)8(2)17-7)20-11-6-9(15)3-4-10(11)16/h3-6H,1-2H3,(H,18,19)
InChIKeyQFJWQATXWSYMAU-UHFFFAOYSA-N
MW356.60 g/mol
LogP4.60
Rot. Bonds3

About 4-(5-bromo-2-chlorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid

4-(5-bromo-2-chlorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 81053475) has the molecular formula C14H11BrClNO3 and a molecular weight of 356.60 g/mol. Its IUPAC name is 4-(5-bromo-2-chlorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(5-bromo-2-chlorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID81053475
Molecular FormulaC14H11BrClNO3
Molecular Weight356.60 g/mol
Exact Mass354.96
IUPAC Name4-(5-bromo-2-chlorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(Oc2cc(Br)ccc2Cl)c(C(=O)O)c(C)n1
InChIInChI=1S/C14H11BrClNO3/c1-7-5-12(13(14(18)19)8(2)17-7)20-11-6-9(15)3-4-10(11)16/h3-6H,1-2H3,(H,18,19)
InChIKeyQFJWQATXWSYMAU-UHFFFAOYSA-N
XLogP4.60
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.60
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 81052848
4-(5-bromo-2-chlorophenoxy)-6-methylpyridine-3-carboxylic acid
CID 81225762
4-(5-chloro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053396
4-(4-chloro-3-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 82727618
4-(4-bromo-3,5-dimethylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 107726792
4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 102987550
2-(5-bromo-2-chlorophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063534
2-(4-bromo-2-methylphenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 63217042
2-(5-bromo-2-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 114034139
(E)-3-[3-(5-bromo-2-chlorophenoxy)-4-methylphenyl]prop-2-enoic acid
CID 105407763
2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid
CID 81053468
1-[5-bromo-2-(2-chloro-5-methylphenoxy)phenyl]ethanone
CID 82971994

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-chlorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4-(5-bromo-2-chlorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid (CID 81053475) is 4-(5-bromo-2-chlorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(5-bromo-2-chlorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(5-bromo-2-chlorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid is Cc1cc(Oc2cc(Br)ccc2Cl)c(C(=O)O)c(C)n1.
What is the InChIKey of 4-(5-bromo-2-chlorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is QFJWQATXWSYMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO3/c1-7-5-12(13(14(18)19)8(2)17-7)20-11-6-9(15)3-4-10(11)16/h3-6H,1-2H3,(H,18,19).
What are the key properties of 4-(5-bromo-2-chlorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid?
4-(5-bromo-2-chlorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 356.60 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-chlorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 81053475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).