4-(4-bromo-2-propan-2-ylphenoxy)-6-methylpyridine-3-carboxylic acid

C16H16BrNO3 — CID 115401714

IUPAC4-(4-bromo-2-propan-2-ylphenoxy)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(Oc2ccc(Br)cc2C(C)C)c(C(=O)O)cn1
InChIInChI=1S/C16H16BrNO3/c1-9(2)12-7-11(17)4-5-14(12)21-15-6-10(3)18-8-13(15)16(19)20/h4-9H,1-3H3,(H,19,20)
InChIKeyWFXPWUAHRYEJOD-UHFFFAOYSA-N
MW350.21 g/mol
LogP4.77
Rot. Bonds4

About 4-(4-bromo-2-propan-2-ylphenoxy)-6-methylpyridine-3-carboxylic acid

4-(4-bromo-2-propan-2-ylphenoxy)-6-methylpyridine-3-carboxylic acid (PubChem CID 115401714) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 4-(4-bromo-2-propan-2-ylphenoxy)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-bromo-2-propan-2-ylphenoxy)-6-methylpyridine-3-carboxylic acid
PubChem CID115401714
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name4-(4-bromo-2-propan-2-ylphenoxy)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(Oc2ccc(Br)cc2C(C)C)c(C(=O)O)cn1
InChIInChI=1S/C16H16BrNO3/c1-9(2)12-7-11(17)4-5-14(12)21-15-6-10(3)18-8-13(15)16(19)20/h4-9H,1-3H3,(H,19,20)
InChIKeyWFXPWUAHRYEJOD-UHFFFAOYSA-N
XLogP4.77
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromo-2-chlorophenoxy)-6-methylpyridine-3-carboxylic acid
CID 81225762
5-amino-2-(4-bromo-2-propan-2-ylphenoxy)benzoic acid
CID 115402590
5-(4-bromo-2-propan-2-ylphenoxy)pyrazine-2-carboxylic acid
CID 115402897
4-bromo-2-(2-propan-2-ylphenoxy)benzoic acid
CID 43364865
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyridine-3-carboxylic acid
CID 103174497
3-(4-bromo-2-propan-2-ylphenoxy)-2,5-dimethylpyrazine
CID 113302971
4-amino-2-(4-bromo-2-propan-2-ylphenoxy)benzamide
CID 115401530
4-ethoxy-6-methylpyridine-3-carboxylic acid
CID 81230098
2-(4-bromo-2-propan-2-ylphenoxy)benzamide
CID 115402255
5-bromo-2-(4-bromo-2-carboxyphenoxy)benzoic acid
CID 54758731
1-[2-amino-5-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanone
CID 104613352
2-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-3-carboxylic acid
CID 115401481

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-propan-2-ylphenoxy)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(4-bromo-2-propan-2-ylphenoxy)-6-methylpyridine-3-carboxylic acid (CID 115401714) is 4-(4-bromo-2-propan-2-ylphenoxy)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4-bromo-2-propan-2-ylphenoxy)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(4-bromo-2-propan-2-ylphenoxy)-6-methylpyridine-3-carboxylic acid is Cc1cc(Oc2ccc(Br)cc2C(C)C)c(C(=O)O)cn1.
What is the InChIKey of 4-(4-bromo-2-propan-2-ylphenoxy)-6-methylpyridine-3-carboxylic acid?
The InChIKey is WFXPWUAHRYEJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-9(2)12-7-11(17)4-5-14(12)21-15-6-10(3)18-8-13(15)16(19)20/h4-9H,1-3H3,(H,19,20).
What are the key properties of 4-(4-bromo-2-propan-2-ylphenoxy)-6-methylpyridine-3-carboxylic acid?
4-(4-bromo-2-propan-2-ylphenoxy)-6-methylpyridine-3-carboxylic acid has a molecular weight of 350.21 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-propan-2-ylphenoxy)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 115401714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).