3-bromo-5-[(4-bromophenoxy)methyl]pyridine

C12H9Br2NO — CID 115580483

IUPAC3-bromo-5-[(4-bromophenoxy)methyl]pyridine
SMILESBrc1ccc(OCc2cncc(Br)c2)cc1
InChIInChI=1S/C12H9Br2NO/c13-10-1-3-12(4-2-10)16-8-9-5-11(14)7-15-6-9/h1-7H,8H2
InChIKeyXCQDBBVKLANRHZ-UHFFFAOYSA-N
MW343.02 g/mol
LogP4.19
Rot. Bonds3

About 3-bromo-5-[(4-bromophenoxy)methyl]pyridine

3-bromo-5-[(4-bromophenoxy)methyl]pyridine (PubChem CID 115580483) has the molecular formula C12H9Br2NO and a molecular weight of 343.02 g/mol. Its IUPAC name is 3-bromo-5-[(4-bromophenoxy)methyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[(4-bromophenoxy)methyl]pyridine
PubChem CID115580483
Molecular FormulaC12H9Br2NO
Molecular Weight343.02 g/mol
Exact Mass340.91
IUPAC Name3-bromo-5-[(4-bromophenoxy)methyl]pyridine
SMILESBrc1ccc(OCc2cncc(Br)c2)cc1
InChIInChI=1S/C12H9Br2NO/c13-10-1-3-12(4-2-10)16-8-9-5-11(14)7-15-6-9/h1-7H,8H2
InChIKeyXCQDBBVKLANRHZ-UHFFFAOYSA-N
XLogP4.19
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.02
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-[(4-iodophenoxy)methyl]pyridine
CID 115582275
(1S)-1-[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]ethanamine
CID 113454075
3-bromo-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine
CID 115582278
[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methanamine
CID 113454081
N-[[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796087
1-[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]propan-1-amine
CID 104796044
3-bromo-5-[(3-chloro-4-fluorophenoxy)methyl]pyridine
CID 115580509
3-bromo-5-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 104798995
3-[(4-bromophenoxy)methyl]-5-(3-fluorooxetan-3-yl)pyridine
CID 166487349
3-[(5-bromo-3-pyridinyl)methoxy]-5-methoxybenzonitrile
CID 103567139
3-bromo-5-phenylmethoxypyridine
CID 15389198
1-[3-[(5-bromo-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 113454072

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(4-bromophenoxy)methyl]pyridine?
The IUPAC name of 3-bromo-5-[(4-bromophenoxy)methyl]pyridine (CID 115580483) is 3-bromo-5-[(4-bromophenoxy)methyl]pyridine.
What is the SMILES notation for 3-bromo-5-[(4-bromophenoxy)methyl]pyridine?
The canonical SMILES for 3-bromo-5-[(4-bromophenoxy)methyl]pyridine is Brc1ccc(OCc2cncc(Br)c2)cc1.
What is the InChIKey of 3-bromo-5-[(4-bromophenoxy)methyl]pyridine?
The InChIKey is XCQDBBVKLANRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2NO/c13-10-1-3-12(4-2-10)16-8-9-5-11(14)7-15-6-9/h1-7H,8H2.
What are the key properties of 3-bromo-5-[(4-bromophenoxy)methyl]pyridine?
3-bromo-5-[(4-bromophenoxy)methyl]pyridine has a molecular weight of 343.02 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(4-bromophenoxy)methyl]pyridine is sourced from PubChem (CID 115580483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).