5-bromo-2-[(3-bromophenoxy)methyl]pyridine

C12H9Br2NO — CID 104797443

IUPAC5-bromo-2-[(3-bromophenoxy)methyl]pyridine
SMILESBrc1ccc(COc2cccc(Br)c2)nc1
InChIInChI=1S/C12H9Br2NO/c13-9-2-1-3-12(6-9)16-8-11-5-4-10(14)7-15-11/h1-7H,8H2
InChIKeyCFQLCDJYAQUESA-UHFFFAOYSA-N
MW343.02 g/mol
LogP4.19
Rot. Bonds3

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

5-bromo-2-[(3-bromophenoxy)methyl]pyridine (PubChem CID 104797443) has the molecular formula C12H9Br2NO and a molecular weight of 343.02 g/mol. Its IUPAC name is 5-bromo-2-[(3-bromophenoxy)methyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(3-bromophenoxy)methyl]pyridine
PubChem CID104797443
Molecular FormulaC12H9Br2NO
Molecular Weight343.02 g/mol
Exact Mass340.91
IUPAC Name5-bromo-2-[(3-bromophenoxy)methyl]pyridine
SMILESBrc1ccc(COc2cccc(Br)c2)nc1
InChIInChI=1S/C12H9Br2NO/c13-9-2-1-3-12(6-9)16-8-11-5-4-10(14)7-15-11/h1-7H,8H2
InChIKeyCFQLCDJYAQUESA-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

6-[(3-bromophenoxy)methyl]pyridin-2-amine
CID 79239271
3-[(5-bromo-2-pyridinyl)methoxy]quinoline
CID 107388127
5-[(3-bromophenoxy)methyl]pyridin-2-amine
CID 62193709
4-[(3-bromophenoxy)methyl]-1-ethylimidazol-2-amine
CID 117191924
5-[(5-bromo-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684678
4-[(3-bromophenoxy)methyl]-1,3-thiazol-2-amine
CID 28913045
6-[(3-bromophenoxy)methyl]-N-methylpyridin-2-amine
CID 79239184
N-[[2-bromo-5-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
CID 104796427
3-[(5-bromo-2-pyridinyl)methoxy]-5-methoxybenzonitrile
CID 103566817
1-bromo-3-(cyclobuten-1-ylmethoxy)benzene
CID 99992080
5-bromo-2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]pyridine
CID 104809617
4-[(3-bromophenoxy)methyl]-1-methylpyrazole
CID 28782443

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-bromophenoxy)methyl]pyridine?
The IUPAC name of 5-bromo-2-[(3-bromophenoxy)methyl]pyridine (CID 104797443) is 5-bromo-2-[(3-bromophenoxy)methyl]pyridine.
What is the SMILES notation for 5-bromo-2-[(3-bromophenoxy)methyl]pyridine?
The canonical SMILES for 5-bromo-2-[(3-bromophenoxy)methyl]pyridine is Brc1ccc(COc2cccc(Br)c2)nc1.
What is the InChIKey of 5-bromo-2-[(3-bromophenoxy)methyl]pyridine?
The InChIKey is CFQLCDJYAQUESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2NO/c13-9-2-1-3-12(6-9)16-8-11-5-4-10(14)7-15-11/h1-7H,8H2.
What are the key properties of 5-bromo-2-[(3-bromophenoxy)methyl]pyridine?
5-bromo-2-[(3-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 5-bromo-2-[(3-bromophenoxy)methyl]pyridine is sourced from PubChem (CID 104797443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).