5-amino-6-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid

C12H8BrClN2O3 — CID 81440012

IUPAC5-amino-6-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C12H8BrClN2O3/c13-7-1-2-10(8(14)4-7)19-11-9(15)3-6(5-16-11)12(17)18/h1-5H,15H2,(H,17,18)
InChIKeyKQWIHTDRVSNXLI-UHFFFAOYSA-N
MW343.56 g/mol
LogP3.57
Rot. Bonds3

About 5-amino-6-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid

5-amino-6-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid (PubChem CID 81440012) has the molecular formula C12H8BrClN2O3 and a molecular weight of 343.56 g/mol. Its IUPAC name is 5-amino-6-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid
PubChem CID81440012
Molecular FormulaC12H8BrClN2O3
Molecular Weight343.56 g/mol
Exact Mass341.94
IUPAC Name5-amino-6-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C12H8BrClN2O3/c13-7-1-2-10(8(14)4-7)19-11-9(15)3-6(5-16-11)12(17)18/h1-5H,15H2,(H,17,18)
InChIKeyKQWIHTDRVSNXLI-UHFFFAOYSA-N
XLogP3.57
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.56
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid
CID 81439243
5-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid
CID 113469480
5-amino-6-(2,5-dibromo-4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 81447618
5-bromo-2-(2,4-dichlorophenoxy)pyridin-3-amine
CID 61228293
5-amino-6-(2-iodophenoxy)pyridine-3-carboxylic acid
CID 81439625
5-amino-6-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 82716669
3-amino-4-(4-bromo-2-chlorophenoxy)benzamide
CID 43448570
5-amino-6-[(2-methyl-3-pyridinyl)oxy]pyridine-3-carboxylic acid
CID 81439910
5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 81438860
5-bromo-2-(2-chloro-4-fluorophenoxy)pyridin-3-amine
CID 61228304
5-amino-6-(2,3,6-trimethylphenoxy)pyridine-3-carboxylic acid
CID 81439064
2-(4-bromo-2-chlorophenoxy)-6-chloropyridine-3-carboxylic acid
CID 63376889

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid (CID 81440012) is 5-amino-6-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid is Nc1cc(C(=O)O)cnc1Oc1ccc(Br)cc1Cl.
What is the InChIKey of 5-amino-6-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid?
The InChIKey is KQWIHTDRVSNXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O3/c13-7-1-2-10(8(14)4-7)19-11-9(15)3-6(5-16-11)12(17)18/h1-5H,15H2,(H,17,18).
What are the key properties of 5-amino-6-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid?
5-amino-6-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid has a molecular weight of 343.56 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 81440012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).