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

C12H8BrFN2O3 — CID 114195711

IUPAC2-amino-5-(3-bromo-4-fluorophenoxy)pyridine-4-carboxylic acid
SMILESNc1cc(C(=O)O)c(Oc2ccc(F)c(Br)c2)cn1
InChIInChI=1S/C12H8BrFN2O3/c13-8-3-6(1-2-9(8)14)19-10-5-16-11(15)4-7(10)12(17)18/h1-5H,(H2,15,16)(H,17,18)
InChIKeySAUGKGDEIKPWOB-UHFFFAOYSA-N
MW327.11 g/mol
LogP3.06
Rot. Bonds3

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

2-amino-5-(3-bromo-4-fluorophenoxy)pyridine-4-carboxylic acid (PubChem CID 114195711) has the molecular formula C12H8BrFN2O3 and a molecular weight of 327.11 g/mol. Its IUPAC name is 2-amino-5-(3-bromo-4-fluorophenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-(3-bromo-4-fluorophenoxy)pyridine-4-carboxylic acid
PubChem CID114195711
Molecular FormulaC12H8BrFN2O3
Molecular Weight327.11 g/mol
Exact Mass325.97
IUPAC Name2-amino-5-(3-bromo-4-fluorophenoxy)pyridine-4-carboxylic acid
SMILESNc1cc(C(=O)O)c(Oc2ccc(F)c(Br)c2)cn1
InChIInChI=1S/C12H8BrFN2O3/c13-8-3-6(1-2-9(8)14)19-10-5-16-11(15)4-7(10)12(17)18/h1-5H,(H2,15,16)(H,17,18)
InChIKeySAUGKGDEIKPWOB-UHFFFAOYSA-N
XLogP3.06
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.11
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(3,4-difluorophenoxy)pyridine-4-carboxylic acid
CID 114195658
4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid
CID 83234465
4-amino-3-(3-bromo-4-fluorophenoxy)benzamide
CID 83233647
5-amino-2-(3-bromo-4-fluorophenoxy)benzamide
CID 83234649
2-(3-bromo-4-fluorophenoxy)-5-nitrobenzoic acid
CID 83231977
2-(3-bromo-4-fluorophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063604
2-bromo-4-(2,5-difluorophenoxy)benzoic acid
CID 107282547
2-(3-bromo-4-fluorophenoxy)-5-nitropyridine-3-carboxylic acid
CID 104629546
2-amino-5-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118997560
2-amino-5-(2-bromo-4-methoxyphenoxy)benzoic acid
CID 104708170
2-bromo-4-(2-fluoro-5-methylphenoxy)benzoic acid
CID 107282560
4-(3-bromo-4-fluorophenoxy)-3-chlorobenzoic acid
CID 83234294

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-bromo-4-fluorophenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 2-amino-5-(3-bromo-4-fluorophenoxy)pyridine-4-carboxylic acid (CID 114195711) is 2-amino-5-(3-bromo-4-fluorophenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-(3-bromo-4-fluorophenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 2-amino-5-(3-bromo-4-fluorophenoxy)pyridine-4-carboxylic acid is Nc1cc(C(=O)O)c(Oc2ccc(F)c(Br)c2)cn1.
What is the InChIKey of 2-amino-5-(3-bromo-4-fluorophenoxy)pyridine-4-carboxylic acid?
The InChIKey is SAUGKGDEIKPWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O3/c13-8-3-6(1-2-9(8)14)19-10-5-16-11(15)4-7(10)12(17)18/h1-5H,(H2,15,16)(H,17,18).
What are the key properties of 2-amino-5-(3-bromo-4-fluorophenoxy)pyridine-4-carboxylic acid?
2-amino-5-(3-bromo-4-fluorophenoxy)pyridine-4-carboxylic acid has a molecular weight of 327.11 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-bromo-4-fluorophenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 114195711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).