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

C12H8BrF2NO — CID 107099516

IUPAC4-(5-bromo-2,3-difluorophenoxy)-2-methylpyridine
SMILESCc1cc(Oc2cc(Br)cc(F)c2F)ccn1
InChIInChI=1S/C12H8BrF2NO/c1-7-4-9(2-3-16-7)17-11-6-8(13)5-10(14)12(11)15/h2-6H,1H3
InChIKeyHZQQMIYCGOHTLU-UHFFFAOYSA-N
MW300.10 g/mol
LogP4.22
Rot. Bonds2

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

4-(5-bromo-2,3-difluorophenoxy)-2-methylpyridine (PubChem CID 107099516) has the molecular formula C12H8BrF2NO and a molecular weight of 300.10 g/mol. Its IUPAC name is 4-(5-bromo-2,3-difluorophenoxy)-2-methylpyridine.

Molecular Properties

Compound Name4-(5-bromo-2,3-difluorophenoxy)-2-methylpyridine
PubChem CID107099516
Molecular FormulaC12H8BrF2NO
Molecular Weight300.10 g/mol
Exact Mass298.98
IUPAC Name4-(5-bromo-2,3-difluorophenoxy)-2-methylpyridine
SMILESCc1cc(Oc2cc(Br)cc(F)c2F)ccn1
InChIInChI=1S/C12H8BrF2NO/c1-7-4-9(2-3-16-7)17-11-6-8(13)5-10(14)12(11)15/h2-6H,1H3
InChIKeyHZQQMIYCGOHTLU-UHFFFAOYSA-N
XLogP4.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

4-(5-bromo-2,3-difluorophenoxy)-2-chloropyridine
CID 107098123
4-(5-bromo-2,3-difluorophenoxy)-N-ethylpyridin-2-amine
CID 107102586
5-bromo-1-[4-(bromomethyl)-3-methylphenoxy]-2,3-difluorobenzene
CID 107100289
2-(5-bromo-2,3-difluorophenoxy)-5-methylpyridine
CID 107099142
4-(5-bromo-2,3-difluorophenoxy)aniline
CID 107097389
2-(5-bromo-2,3-difluorophenoxy)-4-methylpyridine-3-carboxamide
CID 107099186
1-[2-(5-bromo-2,3-difluorophenoxy)-4-pyridinyl]ethanamine
CID 107099915
(1S)-1-[5-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]ethanol
CID 107100177
2-(5-bromo-2,3-difluorophenoxy)-4-(chloromethyl)pyridine
CID 107100912
1-[4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol
CID 107100098
2-[(5-bromo-2,3-difluorophenoxy)methyl]-N-ethylpyridin-4-amine
CID 107101003
5-bromo-4-(5-bromo-2,3-difluorophenoxy)pyrimidine
CID 107099541

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2,3-difluorophenoxy)-2-methylpyridine?
The IUPAC name of 4-(5-bromo-2,3-difluorophenoxy)-2-methylpyridine (CID 107099516) is 4-(5-bromo-2,3-difluorophenoxy)-2-methylpyridine.
What is the SMILES notation for 4-(5-bromo-2,3-difluorophenoxy)-2-methylpyridine?
The canonical SMILES for 4-(5-bromo-2,3-difluorophenoxy)-2-methylpyridine is Cc1cc(Oc2cc(Br)cc(F)c2F)ccn1.
What is the InChIKey of 4-(5-bromo-2,3-difluorophenoxy)-2-methylpyridine?
The InChIKey is HZQQMIYCGOHTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NO/c1-7-4-9(2-3-16-7)17-11-6-8(13)5-10(14)12(11)15/h2-6H,1H3.
What are the key properties of 4-(5-bromo-2,3-difluorophenoxy)-2-methylpyridine?
4-(5-bromo-2,3-difluorophenoxy)-2-methylpyridine has a molecular weight of 300.10 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2,3-difluorophenoxy)-2-methylpyridine is sourced from PubChem (CID 107099516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).