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

C14H11BrFNO3 — CID 81052848

IUPAC4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(Oc2ccc(Br)cc2F)c(C(=O)O)c(C)n1
InChIInChI=1S/C14H11BrFNO3/c1-7-5-12(13(14(18)19)8(2)17-7)20-11-4-3-9(15)6-10(11)16/h3-6H,1-2H3,(H,18,19)
InChIKeyKLQOCVTZTYQDMH-UHFFFAOYSA-N
MW340.15 g/mol
LogP4.09
Rot. Bonds3

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

4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 81052848) has the molecular formula C14H11BrFNO3 and a molecular weight of 340.15 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID81052848
Molecular FormulaC14H11BrFNO3
Molecular Weight340.15 g/mol
Exact Mass338.99
IUPAC Name4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(Oc2ccc(Br)cc2F)c(C(=O)O)c(C)n1
InChIInChI=1S/C14H11BrFNO3/c1-7-5-12(13(14(18)19)8(2)17-7)20-11-4-3-9(15)6-10(11)16/h3-6H,1-2H3,(H,18,19)
InChIKeyKLQOCVTZTYQDMH-UHFFFAOYSA-N
XLogP4.09
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.15
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromo-2-chlorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053475
4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 102987550
6-(4-bromo-2-fluorophenoxy)-2-fluoro-3-methoxybenzoic acid
CID 67383477
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-(2,4-difluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81036289
2-(4-bromo-2-methylphenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 63217042
4-bromo-2-fluoro-6-(4-fluoro-2-methylphenoxy)benzoic acid
CID 169097100
4-(4-bromo-2-fluorophenoxy)-2-methylbenzoic acid
CID 62136646
[2-(4-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 61175759
5-(4-bromo-2-fluorophenoxy)-1,4-dimethylpyrazole-3-carboxylic acid
CID 172552761

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid (CID 81052848) is 4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid is Cc1cc(Oc2ccc(Br)cc2F)c(C(=O)O)c(C)n1.
What is the InChIKey of 4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is KLQOCVTZTYQDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO3/c1-7-5-12(13(14(18)19)8(2)17-7)20-11-4-3-9(15)6-10(11)16/h3-6H,1-2H3,(H,18,19).
What are the key properties of 4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid?
4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 340.15 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 81052848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).