5-bromo-2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyridine

C13H10BrCl2NO — CID 113454507

IUPAC5-bromo-2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyridine
SMILESClCc1ccc(OCc2ccc(Br)cn2)c(Cl)c1
InChIInChI=1S/C13H10BrCl2NO/c14-10-2-3-11(17-7-10)8-18-13-4-1-9(6-15)5-12(13)16/h1-5,7H,6,8H2
InChIKeyXQMQOYXKGDVGQU-UHFFFAOYSA-N
MW347.04 g/mol
LogP4.82
Rot. Bonds4

About 5-bromo-2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyridine

5-bromo-2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyridine (PubChem CID 113454507) has the molecular formula C13H10BrCl2NO and a molecular weight of 347.04 g/mol. Its IUPAC name is 5-bromo-2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyridine
PubChem CID113454507
Molecular FormulaC13H10BrCl2NO
Molecular Weight347.04 g/mol
Exact Mass344.93
IUPAC Name5-bromo-2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyridine
SMILESClCc1ccc(OCc2ccc(Br)cn2)c(Cl)c1
InChIInChI=1S/C13H10BrCl2NO/c14-10-2-3-11(17-7-10)8-18-13-4-1-9(6-15)5-12(13)16/h1-5,7H,6,8H2
InChIKeyXQMQOYXKGDVGQU-UHFFFAOYSA-N
XLogP4.82
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.04
LogP ≤ 54.82
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

5-bromo-2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]pyridine
CID 104799142
5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine
CID 104809665
4-[(5-bromo-2-pyridinyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 104797667
(E)-3-[4-[(5-bromo-2-pyridinyl)methoxy]-3-chlorophenyl]prop-2-enoic acid
CID 104799294
2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyrimidine
CID 62697877
5-bromo-2-[(2-methoxy-4-methylphenoxy)methyl]pyridine
CID 113455729
5-bromo-2-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]pyridine
CID 104799100
N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796270
1-[2-[(5-bromo-2-pyridinyl)methoxy]-5-chlorophenyl]-N-methylmethanamine
CID 104796118
2-chloro-4-(chloromethyl)-1-[(4-methylphenyl)methoxy]benzene
CID 63535207
N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine
CID 104796276
5-bromo-2-[(2-chloro-5-nitrophenoxy)methyl]pyridine
CID 113455750

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyridine?
The IUPAC name of 5-bromo-2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyridine (CID 113454507) is 5-bromo-2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyridine.
What is the SMILES notation for 5-bromo-2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyridine?
The canonical SMILES for 5-bromo-2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyridine is ClCc1ccc(OCc2ccc(Br)cn2)c(Cl)c1.
What is the InChIKey of 5-bromo-2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyridine?
The InChIKey is XQMQOYXKGDVGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO/c14-10-2-3-11(17-7-10)8-18-13-4-1-9(6-15)5-12(13)16/h1-5,7H,6,8H2.
What are the key properties of 5-bromo-2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyridine?
5-bromo-2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyridine has a molecular weight of 347.04 g/mol, XLogP of 4.82, 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-chloro-4-(chloromethyl)phenoxy]methyl]pyridine is sourced from PubChem (CID 113454507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).