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

C12H8Br2ClNO — CID 104809665

IUPAC5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine
SMILESClc1ccc(OCc2ccc(Br)cn2)c(Br)c1
InChIInChI=1S/C12H8Br2ClNO/c13-8-1-3-10(16-6-8)7-17-12-4-2-9(15)5-11(12)14/h1-6H,7H2
InChIKeyRCGTVVKZLLVBKK-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.84
Rot. Bonds3

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

5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine (PubChem CID 104809665) has the molecular formula C12H8Br2ClNO and a molecular weight of 377.46 g/mol. Its IUPAC name is 5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine
PubChem CID104809665
Molecular FormulaC12H8Br2ClNO
Molecular Weight377.46 g/mol
Exact Mass374.87
IUPAC Name5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine
SMILESClc1ccc(OCc2ccc(Br)cn2)c(Br)c1
InChIInChI=1S/C12H8Br2ClNO/c13-8-1-3-10(16-6-8)7-17-12-4-2-9(15)5-11(12)14/h1-6H,7H2
InChIKeyRCGTVVKZLLVBKK-UHFFFAOYSA-N
XLogP4.84
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(5-bromo-2-pyridinyl)methoxy]-5-chlorophenyl]-N-methylmethanamine
CID 104796118
5-bromo-2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyridine
CID 113454507
5-bromo-2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]pyridine
CID 104799142
N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796270
N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine
CID 104796276
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
5-bromo-2-[(2-methoxy-4-methylphenoxy)methyl]pyridine
CID 113455729
4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzenesulfonyl chloride
CID 104796562
5-bromo-2-[(2-chloro-5-nitrophenoxy)methyl]pyridine
CID 113455750
5-bromo-2-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]pyridine
CID 104799100
2-[(4-bromo-2-chlorophenoxy)methyl]-4-chloropyridine
CID 79255856

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine?
The IUPAC name of 5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine (CID 104809665) is 5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine.
What is the SMILES notation for 5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine?
The canonical SMILES for 5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine is Clc1ccc(OCc2ccc(Br)cn2)c(Br)c1.
What is the InChIKey of 5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine?
The InChIKey is RCGTVVKZLLVBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2ClNO/c13-8-1-3-10(16-6-8)7-17-12-4-2-9(15)5-11(12)14/h1-6H,7H2.
What are the key properties of 5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine?
5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine has a molecular weight of 377.46 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine is sourced from PubChem (CID 104809665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).