2-(2,5-dibromo-4-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid

C14H11Br2NO4 — CID 79407873

IUPAC2-(2,5-dibromo-4-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid
SMILESCOc1cc(Br)c(Oc2nc(C)ccc2C(=O)O)cc1Br
InChIInChI=1S/C14H11Br2NO4/c1-7-3-4-8(14(18)19)13(17-7)21-12-6-9(15)11(20-2)5-10(12)16/h3-6H,1-2H3,(H,18,19)
InChIKeyZGIOHNIRSSGYGV-UHFFFAOYSA-N
MW417.05 g/mol
LogP4.41
Rot. Bonds4

About 2-(2,5-dibromo-4-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid

2-(2,5-dibromo-4-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid (PubChem CID 79407873) has the molecular formula C14H11Br2NO4 and a molecular weight of 417.05 g/mol. Its IUPAC name is 2-(2,5-dibromo-4-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dibromo-4-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid
PubChem CID79407873
Molecular FormulaC14H11Br2NO4
Molecular Weight417.05 g/mol
Exact Mass414.91
IUPAC Name2-(2,5-dibromo-4-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid
SMILESCOc1cc(Br)c(Oc2nc(C)ccc2C(=O)O)cc1Br
InChIInChI=1S/C14H11Br2NO4/c1-7-3-4-8(14(18)19)13(17-7)21-12-6-9(15)11(20-2)5-10(12)16/h3-6H,1-2H3,(H,18,19)
InChIKeyZGIOHNIRSSGYGV-UHFFFAOYSA-N
XLogP4.41
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.05
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-6-methylpyridine-3-carboxylic acid
CID 22494228
2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid
CID 107668753
5-bromo-2-(2,5-dibromo-4-methoxyphenoxy)benzoic acid
CID 114896173
2-(2-fluoro-5-methylphenoxy)-6-methylpyridine-3-carboxylic acid
CID 64856053
2-(3,5-difluorophenoxy)-6-methylpyridine-3-carboxylic acid
CID 62783634
2-(3,4-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid
CID 62703441
2-(2,3-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid
CID 55107905
5-bromo-2,4-dimethoxybenzoic acid;2,4-dimethoxybenzoic acid
CID 158809754
2-(2-bromophenoxy)-6-chloropyridine-3-carboxylic acid
CID 63376743
6-bromo-2-methoxypyridine-3-carboxylic acid
CID 71303922
2-[(4-bromophenyl)methoxy]-6-methylpyridine-3-carboxylic acid
CID 82825592
4-bromo-2-iodo-5-methoxybenzoic acid
CID 131589494

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dibromo-4-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-(2,5-dibromo-4-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid (CID 79407873) is 2-(2,5-dibromo-4-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,5-dibromo-4-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,5-dibromo-4-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid is COc1cc(Br)c(Oc2nc(C)ccc2C(=O)O)cc1Br.
What is the InChIKey of 2-(2,5-dibromo-4-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid?
The InChIKey is ZGIOHNIRSSGYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NO4/c1-7-3-4-8(14(18)19)13(17-7)21-12-6-9(15)11(20-2)5-10(12)16/h3-6H,1-2H3,(H,18,19).
What are the key properties of 2-(2,5-dibromo-4-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid?
2-(2,5-dibromo-4-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid has a molecular weight of 417.05 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dibromo-4-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 79407873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).