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

C13H10Br2N2O4 — CID 81447618

IUPAC5-amino-6-(2,5-dibromo-4-methoxyphenoxy)pyridine-3-carboxylic acid
SMILESCOc1cc(Br)c(Oc2ncc(C(=O)O)cc2N)cc1Br
InChIInChI=1S/C13H10Br2N2O4/c1-20-10-3-8(15)11(4-7(10)14)21-12-9(16)2-6(5-17-12)13(18)19/h2-5H,16H2,1H3,(H,18,19)
InChIKeySGKABAGBGHWFSA-UHFFFAOYSA-N
MW418.04 g/mol
LogP3.69
Rot. Bonds4

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

5-amino-6-(2,5-dibromo-4-methoxyphenoxy)pyridine-3-carboxylic acid (PubChem CID 81447618) has the molecular formula C13H10Br2N2O4 and a molecular weight of 418.04 g/mol. Its IUPAC name is 5-amino-6-(2,5-dibromo-4-methoxyphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(2,5-dibromo-4-methoxyphenoxy)pyridine-3-carboxylic acid
PubChem CID81447618
Molecular FormulaC13H10Br2N2O4
Molecular Weight418.04 g/mol
Exact Mass415.90
IUPAC Name5-amino-6-(2,5-dibromo-4-methoxyphenoxy)pyridine-3-carboxylic acid
SMILESCOc1cc(Br)c(Oc2ncc(C(=O)O)cc2N)cc1Br
InChIInChI=1S/C13H10Br2N2O4/c1-20-10-3-8(15)11(4-7(10)14)21-12-9(16)2-6(5-17-12)13(18)19/h2-5H,16H2,1H3,(H,18,19)
InChIKeySGKABAGBGHWFSA-UHFFFAOYSA-N
XLogP3.69
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.04
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid
CID 81440012
5,6-dimethoxypyridine-3-carboxylic acid
CID 12563086
5-amino-6-(2-iodophenoxy)pyridine-3-carboxylic acid
CID 81439625
5-amino-6-ethoxypyridine-3-carboxylic acid
CID 81439997
5-amino-6-[(2-methyl-3-pyridinyl)oxy]pyridine-3-carboxylic acid
CID 81439910
5-amino-6-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid
CID 81439243
5-amino-6-(3,5-difluorophenoxy)pyridine-3-carboxylic acid
CID 81438869
5-amino-6-(2,3,6-trimethylphenoxy)pyridine-3-carboxylic acid
CID 81439064
5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 81438860
5-amino-6-quinolin-8-yloxypyridine-3-carboxylic acid
CID 81447216
5-amino-6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboxylic acid
CID 81447219
5-amino-6-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxylic acid
CID 81447521

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2,5-dibromo-4-methoxyphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(2,5-dibromo-4-methoxyphenoxy)pyridine-3-carboxylic acid (CID 81447618) is 5-amino-6-(2,5-dibromo-4-methoxyphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(2,5-dibromo-4-methoxyphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(2,5-dibromo-4-methoxyphenoxy)pyridine-3-carboxylic acid is COc1cc(Br)c(Oc2ncc(C(=O)O)cc2N)cc1Br.
What is the InChIKey of 5-amino-6-(2,5-dibromo-4-methoxyphenoxy)pyridine-3-carboxylic acid?
The InChIKey is SGKABAGBGHWFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O4/c1-20-10-3-8(15)11(4-7(10)14)21-12-9(16)2-6(5-17-12)13(18)19/h2-5H,16H2,1H3,(H,18,19).
What are the key properties of 5-amino-6-(2,5-dibromo-4-methoxyphenoxy)pyridine-3-carboxylic acid?
5-amino-6-(2,5-dibromo-4-methoxyphenoxy)pyridine-3-carboxylic acid has a molecular weight of 418.04 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2,5-dibromo-4-methoxyphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 81447618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).