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

C13H11BrN2O3 — CID 114090810

IUPAC5-amino-2-(4-bromo-3-methylphenoxy)pyridine-4-carboxylic acid
SMILESCc1cc(Oc2cc(C(=O)O)c(N)cn2)ccc1Br
InChIInChI=1S/C13H11BrN2O3/c1-7-4-8(2-3-10(7)14)19-12-5-9(13(17)18)11(15)6-16-12/h2-6H,15H2,1H3,(H,17,18)
InChIKeyLCHZBRRNRJHKBY-UHFFFAOYSA-N
MW323.15 g/mol
LogP3.23
Rot. Bonds3

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

5-amino-2-(4-bromo-3-methylphenoxy)pyridine-4-carboxylic acid (PubChem CID 114090810) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is 5-amino-2-(4-bromo-3-methylphenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(4-bromo-3-methylphenoxy)pyridine-4-carboxylic acid
PubChem CID114090810
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC Name5-amino-2-(4-bromo-3-methylphenoxy)pyridine-4-carboxylic acid
SMILESCc1cc(Oc2cc(C(=O)O)c(N)cn2)ccc1Br
InChIInChI=1S/C13H11BrN2O3/c1-7-4-8(2-3-10(7)14)19-12-5-9(13(17)18)11(15)6-16-12/h2-6H,15H2,1H3,(H,17,18)
InChIKeyLCHZBRRNRJHKBY-UHFFFAOYSA-N
XLogP3.23
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(4-bromo-3-methylphenoxy)benzoic acid
CID 83134573
6-(3,4-dimethylphenoxy)-4-methylpyridin-3-amine
CID 79021050
6-(4-bromo-3-fluorophenoxy)-4-methylpyridin-3-amine
CID 79176366
2-(4-bromo-3-methylphenoxy)-5-methylpyridine
CID 83141020
5-amino-2-(4-methoxyphenoxy)pyridine-4-carboxamide
CID 114090626
2-(4-bromo-3-methylphenoxy)-5-chloropyridine
CID 83132873
[2-(4-bromo-3-methylphenoxy)-4-pyridinyl]methanamine
CID 83134094
4-(4-bromo-3-methylphenoxy)-6-methylpyrimidine
CID 81334328
6-(4-bromo-3-methylphenoxy)pyridine-3-carboximidamide
CID 83141115
2-amino-5-pyrazin-2-yloxybenzoic acid
CID 43378405
5-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carboxamide
CID 114090771
4-(4-bromo-3-methylphenoxy)quinolin-3-amine
CID 103963762

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-bromo-3-methylphenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 5-amino-2-(4-bromo-3-methylphenoxy)pyridine-4-carboxylic acid (CID 114090810) is 5-amino-2-(4-bromo-3-methylphenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-(4-bromo-3-methylphenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 5-amino-2-(4-bromo-3-methylphenoxy)pyridine-4-carboxylic acid is Cc1cc(Oc2cc(C(=O)O)c(N)cn2)ccc1Br.
What is the InChIKey of 5-amino-2-(4-bromo-3-methylphenoxy)pyridine-4-carboxylic acid?
The InChIKey is LCHZBRRNRJHKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c1-7-4-8(2-3-10(7)14)19-12-5-9(13(17)18)11(15)6-16-12/h2-6H,15H2,1H3,(H,17,18).
What are the key properties of 5-amino-2-(4-bromo-3-methylphenoxy)pyridine-4-carboxylic acid?
5-amino-2-(4-bromo-3-methylphenoxy)pyridine-4-carboxylic acid has a molecular weight of 323.15 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-bromo-3-methylphenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 114090810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).