2-(5-bromo-2,3-difluorophenoxy)-4-methylpyridine-3-carboxamide

C13H9BrF2N2O2 — CID 107099186

IUPAC2-(5-bromo-2,3-difluorophenoxy)-4-methylpyridine-3-carboxamide
SMILESCc1ccnc(Oc2cc(Br)cc(F)c2F)c1C(N)=O
InChIInChI=1S/C13H9BrF2N2O2/c1-6-2-3-18-13(10(6)12(17)19)20-9-5-7(14)4-8(15)11(9)16/h2-5H,1H3,(H2,17,19)
InChIKeyLTJZYJOFFZOYBL-UHFFFAOYSA-N
MW343.13 g/mol
LogP3.32
Rot. Bonds3

About 2-(5-bromo-2,3-difluorophenoxy)-4-methylpyridine-3-carboxamide

2-(5-bromo-2,3-difluorophenoxy)-4-methylpyridine-3-carboxamide (PubChem CID 107099186) has the molecular formula C13H9BrF2N2O2 and a molecular weight of 343.13 g/mol. Its IUPAC name is 2-(5-bromo-2,3-difluorophenoxy)-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(5-bromo-2,3-difluorophenoxy)-4-methylpyridine-3-carboxamide
PubChem CID107099186
Molecular FormulaC13H9BrF2N2O2
Molecular Weight343.13 g/mol
Exact Mass341.98
IUPAC Name2-(5-bromo-2,3-difluorophenoxy)-4-methylpyridine-3-carboxamide
SMILESCc1ccnc(Oc2cc(Br)cc(F)c2F)c1C(N)=O
InChIInChI=1S/C13H9BrF2N2O2/c1-6-2-3-18-13(10(6)12(17)19)20-9-5-7(14)4-8(15)11(9)16/h2-5H,1H3,(H2,17,19)
InChIKeyLTJZYJOFFZOYBL-UHFFFAOYSA-N
XLogP3.32
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.13
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxylate
CID 107099524
5-amino-2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxamide
CID 107097469
2-(5-bromo-2,3-difluorophenoxy)-6-chlorobenzamide
CID 107099317
4-(5-bromo-2,3-difluorophenoxy)-2-methylpyridine
CID 107099516
2-(5-bromo-2-methylphenoxy)-N'-hydroxy-4-methylpyridine-3-carboximidamide
CID 107284633
4-bromo-2-fluoro-6-methylbenzamide
CID 59473773
2-(5-bromo-2-fluorophenoxy)-4-methylpyridin-3-amine
CID 114671679
2-amino-3-(5-bromo-2,3-difluorophenoxy)benzamide
CID 107100826
1-[2-(5-bromo-2,3-difluorophenoxy)-4-pyridinyl]ethanamine
CID 107099915
2-(5-bromo-2,3-difluorophenoxy)-5-methylpyridine
CID 107099142
4-(5-bromo-2,3-difluorophenoxy)-2-chloropyridine
CID 107098123
5-bromo-4-(5-bromo-2,3-difluorophenoxy)pyrimidine
CID 107099541

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-4-methylpyridine-3-carboxamide?
The IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-4-methylpyridine-3-carboxamide (CID 107099186) is 2-(5-bromo-2,3-difluorophenoxy)-4-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-(5-bromo-2,3-difluorophenoxy)-4-methylpyridine-3-carboxamide?
The canonical SMILES for 2-(5-bromo-2,3-difluorophenoxy)-4-methylpyridine-3-carboxamide is Cc1ccnc(Oc2cc(Br)cc(F)c2F)c1C(N)=O.
What is the InChIKey of 2-(5-bromo-2,3-difluorophenoxy)-4-methylpyridine-3-carboxamide?
The InChIKey is LTJZYJOFFZOYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O2/c1-6-2-3-18-13(10(6)12(17)19)20-9-5-7(14)4-8(15)11(9)16/h2-5H,1H3,(H2,17,19).
What are the key properties of 2-(5-bromo-2,3-difluorophenoxy)-4-methylpyridine-3-carboxamide?
2-(5-bromo-2,3-difluorophenoxy)-4-methylpyridine-3-carboxamide has a molecular weight of 343.13 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-difluorophenoxy)-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 107099186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).