2-(3-bromophenoxy)-4-(chloromethyl)pyridine

C12H9BrClNO — CID 61267518

IUPAC2-(3-bromophenoxy)-4-(chloromethyl)pyridine
SMILESClCc1ccnc(Oc2cccc(Br)c2)c1
InChIInChI=1S/C12H9BrClNO/c13-10-2-1-3-11(7-10)16-12-6-9(8-14)4-5-15-12/h1-7H,8H2
InChIKeyWVRSAFJAKYCFMH-UHFFFAOYSA-N
MW298.57 g/mol
LogP4.38
Rot. Bonds3

About 2-(3-bromophenoxy)-4-(chloromethyl)pyridine

2-(3-bromophenoxy)-4-(chloromethyl)pyridine (PubChem CID 61267518) has the molecular formula C12H9BrClNO and a molecular weight of 298.57 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-4-(chloromethyl)pyridine.

Molecular Properties

Compound Name2-(3-bromophenoxy)-4-(chloromethyl)pyridine
PubChem CID61267518
Molecular FormulaC12H9BrClNO
Molecular Weight298.57 g/mol
Exact Mass296.96
IUPAC Name2-(3-bromophenoxy)-4-(chloromethyl)pyridine
SMILESClCc1ccnc(Oc2cccc(Br)c2)c1
InChIInChI=1S/C12H9BrClNO/c13-10-2-1-3-11(7-10)16-12-6-9(8-14)4-5-15-12/h1-7H,8H2
InChIKeyWVRSAFJAKYCFMH-UHFFFAOYSA-N
XLogP4.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.57
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene
CID 55224568
4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
CID 61269154
2-(5-bromo-2,3-difluorophenoxy)-4-(chloromethyl)pyridine
CID 107100912
2-bromo-6-[3-(chloromethyl)phenoxy]pyridine
CID 171460464
ethyl 2-(3-bromophenoxy)pyridine-4-carboxylate
CID 169336832
2-(4-bromo-2,5-dichlorophenoxy)-4-(chloromethyl)pyridine
CID 107660062
[6-(3-bromophenoxy)-3-pyridinyl]methanol
CID 61255243
[4-(3-bromophenoxy)-2-pyridinyl]methanamine
CID 62322517
4-(chloromethyl)-2-methoxypyridine;hydrochloride
CID 22625003
2-(3-bromophenoxy)-5-methoxypyridine
CID 106503836
2-(3-bromophenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 62989177
2-bromo-6-(3-bromophenoxy)pyridine
CID 63962984

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-4-(chloromethyl)pyridine?
The IUPAC name of 2-(3-bromophenoxy)-4-(chloromethyl)pyridine (CID 61267518) is 2-(3-bromophenoxy)-4-(chloromethyl)pyridine.
What is the SMILES notation for 2-(3-bromophenoxy)-4-(chloromethyl)pyridine?
The canonical SMILES for 2-(3-bromophenoxy)-4-(chloromethyl)pyridine is ClCc1ccnc(Oc2cccc(Br)c2)c1.
What is the InChIKey of 2-(3-bromophenoxy)-4-(chloromethyl)pyridine?
The InChIKey is WVRSAFJAKYCFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO/c13-10-2-1-3-11(7-10)16-12-6-9(8-14)4-5-15-12/h1-7H,8H2.
What are the key properties of 2-(3-bromophenoxy)-4-(chloromethyl)pyridine?
2-(3-bromophenoxy)-4-(chloromethyl)pyridine has a molecular weight of 298.57 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-4-(chloromethyl)pyridine is sourced from PubChem (CID 61267518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).