5-bromo-2-[(2-chlorophenyl)methoxymethyl]pyridine

C13H11BrClNO — CID 104809681

IUPAC5-bromo-2-[(2-chlorophenyl)methoxymethyl]pyridine
SMILESClc1ccccc1COCc1ccc(Br)cn1
InChIInChI=1S/C13H11BrClNO/c14-11-5-6-12(16-7-11)9-17-8-10-3-1-2-4-13(10)15/h1-7H,8-9H2
InChIKeyZWXXIAWFYUCKPA-UHFFFAOYSA-N
MW312.59 g/mol
LogP4.21
Rot. Bonds4

About 5-bromo-2-[(2-chlorophenyl)methoxymethyl]pyridine

5-bromo-2-[(2-chlorophenyl)methoxymethyl]pyridine (PubChem CID 104809681) has the molecular formula C13H11BrClNO and a molecular weight of 312.59 g/mol. Its IUPAC name is 5-bromo-2-[(2-chlorophenyl)methoxymethyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(2-chlorophenyl)methoxymethyl]pyridine
PubChem CID104809681
Molecular FormulaC13H11BrClNO
Molecular Weight312.59 g/mol
Exact Mass310.97
IUPAC Name5-bromo-2-[(2-chlorophenyl)methoxymethyl]pyridine
SMILESClc1ccccc1COCc1ccc(Br)cn1
InChIInChI=1S/C13H11BrClNO/c14-11-5-6-12(16-7-11)9-17-8-10-3-1-2-4-13(10)15/h1-7H,8-9H2
InChIKeyZWXXIAWFYUCKPA-UHFFFAOYSA-N
XLogP4.21
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.59
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[(2-chlorophenyl)methoxy]pyrimidine
CID 63866925
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CID 104799100
5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine
CID 104809665
(5-bromo-2-pyridinyl)methyl dihydrogen phosphate
CID 174977338
N-[(5-bromo-2-pyridinyl)methyl]-2,6-dichloroaniline
CID 65467806
1-[(5-bromo-2-pyridinyl)methoxy]-2-methylpropan-2-amine
CID 104799626
1-chloro-2-(2-methylpropoxymethyl)benzene
CID 123441834
5-[(2-chlorophenyl)methoxy]-2-(nitrosomethyl)pyridine
CID 123537932
2-chloro-4-[(2-chlorophenyl)methoxymethyl]pyridine
CID 62472103
(2S)-1-(4-bromopyrazol-1-yl)-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 97327165
5-bromo-2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyridine
CID 113454507
5-bromo-2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]pyridine
CID 104799142

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-chlorophenyl)methoxymethyl]pyridine?
The IUPAC name of 5-bromo-2-[(2-chlorophenyl)methoxymethyl]pyridine (CID 104809681) is 5-bromo-2-[(2-chlorophenyl)methoxymethyl]pyridine.
What is the SMILES notation for 5-bromo-2-[(2-chlorophenyl)methoxymethyl]pyridine?
The canonical SMILES for 5-bromo-2-[(2-chlorophenyl)methoxymethyl]pyridine is Clc1ccccc1COCc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-[(2-chlorophenyl)methoxymethyl]pyridine?
The InChIKey is ZWXXIAWFYUCKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO/c14-11-5-6-12(16-7-11)9-17-8-10-3-1-2-4-13(10)15/h1-7H,8-9H2.
What are the key properties of 5-bromo-2-[(2-chlorophenyl)methoxymethyl]pyridine?
5-bromo-2-[(2-chlorophenyl)methoxymethyl]pyridine has a molecular weight of 312.59 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-chlorophenyl)methoxymethyl]pyridine is sourced from PubChem (CID 104809681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).