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

C13H11BrClNO — CID 104798982

IUPAC3-bromo-5-[[2-(chloromethyl)phenoxy]methyl]pyridine
SMILESClCc1ccccc1OCc1cncc(Br)c1
InChIInChI=1S/C13H11BrClNO/c14-12-5-10(7-16-8-12)9-17-13-4-2-1-3-11(13)6-15/h1-5,7-8H,6,9H2
InChIKeyVTWHKYNKSQZQPT-UHFFFAOYSA-N
MW312.59 g/mol
LogP4.16
Rot. Bonds4

About 3-bromo-5-[[2-(chloromethyl)phenoxy]methyl]pyridine

3-bromo-5-[[2-(chloromethyl)phenoxy]methyl]pyridine (PubChem CID 104798982) has the molecular formula C13H11BrClNO and a molecular weight of 312.59 g/mol. Its IUPAC name is 3-bromo-5-[[2-(chloromethyl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[[2-(chloromethyl)phenoxy]methyl]pyridine
PubChem CID104798982
Molecular FormulaC13H11BrClNO
Molecular Weight312.59 g/mol
Exact Mass310.97
IUPAC Name3-bromo-5-[[2-(chloromethyl)phenoxy]methyl]pyridine
SMILESClCc1ccccc1OCc1cncc(Br)c1
InChIInChI=1S/C13H11BrClNO/c14-12-5-10(7-16-8-12)9-17-13-4-2-1-3-11(13)6-15/h1-5,7-8H,6,9H2
InChIKeyVTWHKYNKSQZQPT-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
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

3-bromo-5-[[3-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 104799200
3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine
CID 115580496
3-bromo-5-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 104798995
3-bromo-5-[(2-nitrophenoxy)methyl]pyridine
CID 39528226
3-bromo-5-[[4-(chloromethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine
CID 104799161
3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine
CID 115580492
2-[(5-bromo-3-pyridinyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 104797666
[2-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]methanamine
CID 104796178
2-bromo-4-[[2-(chloromethyl)phenoxy]methyl]-1-methoxybenzene
CID 63535495
3-[(5-bromo-3-pyridinyl)methoxy]-4-chloroaniline
CID 104795936
3-bromo-5-[[5-(chloromethyl)-2-nitrophenoxy]methyl]pyridine
CID 104799147
3-bromo-5-[(4-bromophenoxy)methyl]pyridine
CID 115580483

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[[2-(chloromethyl)phenoxy]methyl]pyridine?
The IUPAC name of 3-bromo-5-[[2-(chloromethyl)phenoxy]methyl]pyridine (CID 104798982) is 3-bromo-5-[[2-(chloromethyl)phenoxy]methyl]pyridine.
What is the SMILES notation for 3-bromo-5-[[2-(chloromethyl)phenoxy]methyl]pyridine?
The canonical SMILES for 3-bromo-5-[[2-(chloromethyl)phenoxy]methyl]pyridine is ClCc1ccccc1OCc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-[[2-(chloromethyl)phenoxy]methyl]pyridine?
The InChIKey is VTWHKYNKSQZQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO/c14-12-5-10(7-16-8-12)9-17-13-4-2-1-3-11(13)6-15/h1-5,7-8H,6,9H2.
What are the key properties of 3-bromo-5-[[2-(chloromethyl)phenoxy]methyl]pyridine?
3-bromo-5-[[2-(chloromethyl)phenoxy]methyl]pyridine has a molecular weight of 312.59 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[[2-(chloromethyl)phenoxy]methyl]pyridine is sourced from PubChem (CID 104798982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).