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

C16H16BrNO3 — CID 107726792

IUPAC4-(4-bromo-3,5-dimethylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(Oc2cc(C)c(Br)c(C)c2)c(C(=O)O)c(C)n1
InChIInChI=1S/C16H16BrNO3/c1-8-5-12(6-9(2)15(8)17)21-13-7-10(3)18-11(4)14(13)16(19)20/h5-7H,1-4H3,(H,19,20)
InChIKeyMJHNZVPKYMVIOT-UHFFFAOYSA-N
MW350.21 g/mol
LogP4.57
Rot. Bonds3

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

4-(4-bromo-3,5-dimethylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 107726792) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 4-(4-bromo-3,5-dimethylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-bromo-3,5-dimethylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID107726792
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name4-(4-bromo-3,5-dimethylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(Oc2cc(C)c(Br)c(C)c2)c(C(=O)O)c(C)n1
InChIInChI=1S/C16H16BrNO3/c1-8-5-12(6-9(2)15(8)17)21-13-7-10(3)18-11(4)14(13)16(19)20/h5-7H,1-4H3,(H,19,20)
InChIKeyMJHNZVPKYMVIOT-UHFFFAOYSA-N
XLogP4.57
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 54.57
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)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053475
4-(5-chloro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053396
4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 102987550
4-(4-chloro-3-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 82727618
2,6-dimethyl-4-(1-propylpyrazol-4-yl)oxypyridine-3-carboxylic acid
CID 116803994
2,6-dimethyl-4-pentoxypyridine-3-carboxylic acid
CID 81053245
4-cyclopentyloxy-2,6-dimethylpyridine-3-carboxylic acid
CID 81053389
4-(4-bromo-3,5-dimethylphenoxy)-3-chlorobenzoic acid
CID 107724901
2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid
CID 81053468
4-(4,4-dimethylcyclohexyl)oxy-2,6-dimethylpyridine-3-carboxylic acid
CID 114342617
4-(3-bromo-5-fluorophenoxy)-2,6-dimethylpyridine-3-carbothioamide
CID 81331605

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3,5-dimethylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4-(4-bromo-3,5-dimethylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid (CID 107726792) is 4-(4-bromo-3,5-dimethylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4-bromo-3,5-dimethylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(4-bromo-3,5-dimethylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid is Cc1cc(Oc2cc(C)c(Br)c(C)c2)c(C(=O)O)c(C)n1.
What is the InChIKey of 4-(4-bromo-3,5-dimethylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is MJHNZVPKYMVIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-8-5-12(6-9(2)15(8)17)21-13-7-10(3)18-11(4)14(13)16(19)20/h5-7H,1-4H3,(H,19,20).
What are the key properties of 4-(4-bromo-3,5-dimethylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid?
4-(4-bromo-3,5-dimethylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 350.21 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3,5-dimethylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 107726792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).