2-(5-bromo-2,3-difluorophenoxy)-4-(chloromethyl)pyridine

C12H7BrClF2NO — CID 107100912

IUPAC2-(5-bromo-2,3-difluorophenoxy)-4-(chloromethyl)pyridine
SMILESFc1cc(Br)cc(Oc2cc(CCl)ccn2)c1F
InChIInChI=1S/C12H7BrClF2NO/c13-8-4-9(15)12(16)10(5-8)18-11-3-7(6-14)1-2-17-11/h1-5H,6H2
InChIKeyDIKLJISGUKINCJ-UHFFFAOYSA-N
MW334.55 g/mol
LogP4.65
Rot. Bonds3

About 2-(5-bromo-2,3-difluorophenoxy)-4-(chloromethyl)pyridine

2-(5-bromo-2,3-difluorophenoxy)-4-(chloromethyl)pyridine (PubChem CID 107100912) has the molecular formula C12H7BrClF2NO and a molecular weight of 334.55 g/mol. Its IUPAC name is 2-(5-bromo-2,3-difluorophenoxy)-4-(chloromethyl)pyridine.

Molecular Properties

Compound Name2-(5-bromo-2,3-difluorophenoxy)-4-(chloromethyl)pyridine
PubChem CID107100912
Molecular FormulaC12H7BrClF2NO
Molecular Weight334.55 g/mol
Exact Mass332.94
IUPAC Name2-(5-bromo-2,3-difluorophenoxy)-4-(chloromethyl)pyridine
SMILESFc1cc(Br)cc(Oc2cc(CCl)ccn2)c1F
InChIInChI=1S/C12H7BrClF2NO/c13-8-4-9(15)12(16)10(5-8)18-11-3-7(6-14)1-2-17-11/h1-5H,6H2
InChIKeyDIKLJISGUKINCJ-UHFFFAOYSA-N
XLogP4.65
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.55
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-2-(2,4-difluorophenoxy)pyridine
CID 61267682
1-[2-(5-bromo-2,3-difluorophenoxy)-4-pyridinyl]ethanamine
CID 107099915
2-(4-bromo-2,5-dichlorophenoxy)-4-(chloromethyl)pyridine
CID 107660062
4-(5-bromo-2,3-difluorophenoxy)-2-chloropyridine
CID 107098123
2-(3-bromophenoxy)-4-(chloromethyl)pyridine
CID 61267518
[2-(5-bromo-2,3-difluorophenoxy)-5-chloro-4-pyridinyl]methanamine
CID 107101094
4-(5-bromo-2,3-difluorophenoxy)-2-methylpyridine
CID 107099516
2-(5-bromo-2,3-difluorophenoxy)-5-methylpyridine
CID 107099142
N-[[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 114676730
4-(chloromethyl)-2-(2-propoxyphenoxy)pyridine
CID 61268969
4-(5-bromo-2,3-difluorophenoxy)-N-ethylpyridin-2-amine
CID 107102586
[3-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]methanamine
CID 107097306

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-4-(chloromethyl)pyridine?
The IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-4-(chloromethyl)pyridine (CID 107100912) is 2-(5-bromo-2,3-difluorophenoxy)-4-(chloromethyl)pyridine.
What is the SMILES notation for 2-(5-bromo-2,3-difluorophenoxy)-4-(chloromethyl)pyridine?
The canonical SMILES for 2-(5-bromo-2,3-difluorophenoxy)-4-(chloromethyl)pyridine is Fc1cc(Br)cc(Oc2cc(CCl)ccn2)c1F.
What is the InChIKey of 2-(5-bromo-2,3-difluorophenoxy)-4-(chloromethyl)pyridine?
The InChIKey is DIKLJISGUKINCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF2NO/c13-8-4-9(15)12(16)10(5-8)18-11-3-7(6-14)1-2-17-11/h1-5H,6H2.
What are the key properties of 2-(5-bromo-2,3-difluorophenoxy)-4-(chloromethyl)pyridine?
2-(5-bromo-2,3-difluorophenoxy)-4-(chloromethyl)pyridine has a molecular weight of 334.55 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-difluorophenoxy)-4-(chloromethyl)pyridine is sourced from PubChem (CID 107100912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).