5-amino-2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxamide

C12H8BrF2N3O2 — CID 107097469

IUPAC5-amino-2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1Oc1cc(Br)cc(F)c1F
InChIInChI=1S/C12H8BrF2N3O2/c13-5-1-8(14)10(15)9(2-5)20-12-7(11(17)19)3-6(16)4-18-12/h1-4H,16H2,(H2,17,19)
InChIKeyTZMYICMJFGXAHJ-UHFFFAOYSA-N
MW344.12 g/mol
LogP2.60
Rot. Bonds3

About 5-amino-2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxamide

5-amino-2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxamide (PubChem CID 107097469) has the molecular formula C12H8BrF2N3O2 and a molecular weight of 344.12 g/mol. Its IUPAC name is 5-amino-2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxamide
PubChem CID107097469
Molecular FormulaC12H8BrF2N3O2
Molecular Weight344.12 g/mol
Exact Mass342.98
IUPAC Name5-amino-2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1Oc1cc(Br)cc(F)c1F
InChIInChI=1S/C12H8BrF2N3O2/c13-5-1-8(14)10(15)9(2-5)20-12-7(11(17)19)3-6(16)4-18-12/h1-4H,16H2,(H2,17,19)
InChIKeyTZMYICMJFGXAHJ-UHFFFAOYSA-N
XLogP2.60
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.12
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-amino-2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-(5-bromo-2,3-difluorophenoxy)benzamide
CID 107100826
2-(5-bromo-2,3-difluorophenoxy)-4-methylpyridine-3-carboxamide
CID 107099186
5-amino-2-(4-methoxyphenoxy)pyridine-3-carboxamide
CID 61358803
ethyl 2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxylate
CID 107099524
5-amino-2-(2,3-dichlorophenoxy)pyridine-3-carboxamide
CID 61358026
5-amino-2-(trifluoromethoxy)pyridine-3-carboxamide
CID 130089257
5-bromo-4-(5-bromo-2,3-difluorophenoxy)pyrimidine
CID 107099541
2-(5-bromo-2,3-difluorophenoxy)ethanethioamide
CID 107098426
4-(5-bromo-2,3-difluorophenoxy)-6-propoxypyrimidin-5-amine
CID 107097377
5-(5-bromo-2,3-difluorophenoxy)pyridine-2-carbothioamide
CID 107098345
5-amino-2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboxamide
CID 64600181
6-(5-bromo-2,3-difluorophenoxy)-5-methoxypyrimidin-4-amine
CID 107102826

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxamide (CID 107097469) is 5-amino-2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxamide is NC(=O)c1cc(N)cnc1Oc1cc(Br)cc(F)c1F.
What is the InChIKey of 5-amino-2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxamide?
The InChIKey is TZMYICMJFGXAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2N3O2/c13-5-1-8(14)10(15)9(2-5)20-12-7(11(17)19)3-6(16)4-18-12/h1-4H,16H2,(H2,17,19).
What are the key properties of 5-amino-2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxamide?
5-amino-2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxamide has a molecular weight of 344.12 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 107097469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).