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

C15H14BrNO3 — CID 63217042

IUPAC2-(4-bromo-2-methylphenoxy)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(Oc2ccc(Br)cc2C)n1
InChIInChI=1S/C15H14BrNO3/c1-8-7-11(16)4-5-12(8)20-14-13(15(18)19)9(2)6-10(3)17-14/h4-7H,1-3H3,(H,18,19)
InChIKeyJCGPTSWEXRSOTH-UHFFFAOYSA-N
MW336.19 g/mol
LogP4.26
Rot. Bonds3

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

2-(4-bromo-2-methylphenoxy)-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 63217042) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID63217042
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name2-(4-bromo-2-methylphenoxy)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(Oc2ccc(Br)cc2C)n1
InChIInChI=1S/C15H14BrNO3/c1-8-7-11(16)4-5-12(8)20-14-13(15(18)19)9(2)6-10(3)17-14/h4-7H,1-3H3,(H,18,19)
InChIKeyJCGPTSWEXRSOTH-UHFFFAOYSA-N
XLogP4.26
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678494
2-(2-methoxyphenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678753
2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 81331677
2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 63268704
2-(4-bromo-3-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 65203397
2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678648
4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 81052848
4,6-dimethyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
CID 60677891
4-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672761
2-but-3-enoxy-4,6-dimethylpyridine-3-carboxylic acid
CID 61003821
4-(5-bromo-2-chlorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053475
2-(3-bromophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 61176370

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-4,6-dimethylpyridine-3-carboxylic acid (CID 63217042) is 2-(4-bromo-2-methylphenoxy)-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(Oc2ccc(Br)cc2C)n1.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is JCGPTSWEXRSOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-8-7-11(16)4-5-12(8)20-14-13(15(18)19)9(2)6-10(3)17-14/h4-7H,1-3H3,(H,18,19).
What are the key properties of 2-(4-bromo-2-methylphenoxy)-4,6-dimethylpyridine-3-carboxylic acid?
2-(4-bromo-2-methylphenoxy)-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 336.19 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 63217042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).