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

C11H5BrClF2NO — CID 107098123

IUPAC4-(5-bromo-2,3-difluorophenoxy)-2-chloropyridine
SMILESFc1cc(Br)cc(Oc2ccnc(Cl)c2)c1F
InChIInChI=1S/C11H5BrClF2NO/c12-6-3-8(14)11(15)9(4-6)17-7-1-2-16-10(13)5-7/h1-5H
InChIKeyBCCNIMSQPUOUJH-UHFFFAOYSA-N
MW320.52 g/mol
LogP4.57
Rot. Bonds2

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

4-(5-bromo-2,3-difluorophenoxy)-2-chloropyridine (PubChem CID 107098123) has the molecular formula C11H5BrClF2NO and a molecular weight of 320.52 g/mol. Its IUPAC name is 4-(5-bromo-2,3-difluorophenoxy)-2-chloropyridine.

Molecular Properties

Compound Name4-(5-bromo-2,3-difluorophenoxy)-2-chloropyridine
PubChem CID107098123
Molecular FormulaC11H5BrClF2NO
Molecular Weight320.52 g/mol
Exact Mass318.92
IUPAC Name4-(5-bromo-2,3-difluorophenoxy)-2-chloropyridine
SMILESFc1cc(Br)cc(Oc2ccnc(Cl)c2)c1F
InChIInChI=1S/C11H5BrClF2NO/c12-6-3-8(14)11(15)9(4-6)17-7-1-2-16-10(13)5-7/h1-5H
InChIKeyBCCNIMSQPUOUJH-UHFFFAOYSA-N
XLogP4.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(5-bromo-2,3-difluorophenoxy)-2-methylpyridine
CID 107099516
4-(5-bromo-2,3-difluorophenoxy)-N-ethylpyridin-2-amine
CID 107102586
2-(5-bromo-2,3-difluorophenoxy)-4-(chloromethyl)pyridine
CID 107100912
4-(5-bromo-2,3-difluorophenoxy)aniline
CID 107097389
4-(4-bromo-2-propan-2-ylphenoxy)-2-chloropyridine
CID 113302886
4-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoroaniline
CID 86641686
2-chloro-4-(5-chloro-2-fluoro-4-nitrophenoxy)pyridine
CID 118025233
5-(5-bromo-2,3-difluorophenoxy)pyridine-2-carbothioamide
CID 107098345
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-chloro-4-(2-methoxyphenoxy)pyridine
CID 63777956
5-bromo-1-[4-(bromomethyl)-3-methylphenoxy]-2,3-difluorobenzene
CID 107100289

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2,3-difluorophenoxy)-2-chloropyridine?
The IUPAC name of 4-(5-bromo-2,3-difluorophenoxy)-2-chloropyridine (CID 107098123) is 4-(5-bromo-2,3-difluorophenoxy)-2-chloropyridine.
What is the SMILES notation for 4-(5-bromo-2,3-difluorophenoxy)-2-chloropyridine?
The canonical SMILES for 4-(5-bromo-2,3-difluorophenoxy)-2-chloropyridine is Fc1cc(Br)cc(Oc2ccnc(Cl)c2)c1F.
What is the InChIKey of 4-(5-bromo-2,3-difluorophenoxy)-2-chloropyridine?
The InChIKey is BCCNIMSQPUOUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClF2NO/c12-6-3-8(14)11(15)9(4-6)17-7-1-2-16-10(13)5-7/h1-5H.
What are the key properties of 4-(5-bromo-2,3-difluorophenoxy)-2-chloropyridine?
4-(5-bromo-2,3-difluorophenoxy)-2-chloropyridine has a molecular weight of 320.52 g/mol, XLogP of 4.57, 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-chloropyridine is sourced from PubChem (CID 107098123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).