5-bromo-2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]pyridine

C13H10Br2ClNO — CID 104799142

IUPAC5-bromo-2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]pyridine
SMILESClc1cc(CBr)ccc1OCc1ccc(Br)cn1
InChIInChI=1S/C13H10Br2ClNO/c14-6-9-1-4-13(12(16)5-9)18-8-11-3-2-10(15)7-17-11/h1-5,7H,6,8H2
InChIKeyQHKMARHUKCWGJF-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.97
Rot. Bonds4

About 5-bromo-2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]pyridine

5-bromo-2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]pyridine (PubChem CID 104799142) has the molecular formula C13H10Br2ClNO and a molecular weight of 391.49 g/mol. Its IUPAC name is 5-bromo-2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]pyridine
PubChem CID104799142
Molecular FormulaC13H10Br2ClNO
Molecular Weight391.49 g/mol
Exact Mass388.88
IUPAC Name5-bromo-2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]pyridine
SMILESClc1cc(CBr)ccc1OCc1ccc(Br)cn1
InChIInChI=1S/C13H10Br2ClNO/c14-6-9-1-4-13(12(16)5-9)18-8-11-3-2-10(15)7-17-11/h1-5,7H,6,8H2
InChIKeyQHKMARHUKCWGJF-UHFFFAOYSA-N
XLogP4.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.97
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-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyridine
CID 113454507
5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine
CID 104809665
4-[(5-bromo-2-pyridinyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 104797667
1-[(4-bromo-2-fluorophenyl)methoxy]-4-(bromomethyl)-2-chlorobenzene
CID 63534537
N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796270
(E)-3-[4-[(5-bromo-2-pyridinyl)methoxy]-3-chlorophenyl]prop-2-enoic acid
CID 104799294
N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine
CID 104796276
5-bromo-2-[(2-methoxy-4-methylphenoxy)methyl]pyridine
CID 113455729
1-[2-[(5-bromo-2-pyridinyl)methoxy]-5-chlorophenyl]-N-methylmethanamine
CID 104796118
4-[[4-(bromomethyl)-2-chlorophenoxy]methyl]-1-methylpyrazole
CID 62126934
3-[[4-(bromomethyl)-2-chlorophenoxy]methyl]-1-cyclopentylpyrazole
CID 64785349
5-bromo-2-[(2-chloro-5-nitrophenoxy)methyl]pyridine
CID 113455750

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]pyridine?
The IUPAC name of 5-bromo-2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]pyridine (CID 104799142) is 5-bromo-2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]pyridine.
What is the SMILES notation for 5-bromo-2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]pyridine?
The canonical SMILES for 5-bromo-2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]pyridine is Clc1cc(CBr)ccc1OCc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]pyridine?
The InChIKey is QHKMARHUKCWGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2ClNO/c14-6-9-1-4-13(12(16)5-9)18-8-11-3-2-10(15)7-17-11/h1-5,7H,6,8H2.
What are the key properties of 5-bromo-2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]pyridine?
5-bromo-2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]pyridine has a molecular weight of 391.49 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]pyridine is sourced from PubChem (CID 104799142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).