[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methanamine

C12H12BrN3O — CID 113454081

IUPAC[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methanamine
SMILESNCc1ccc(OCc2cncc(Br)c2)cn1
InChIInChI=1S/C12H12BrN3O/c13-10-3-9(5-15-6-10)8-17-12-2-1-11(4-14)16-7-12/h1-3,5-7H,4,8,14H2
InChIKeyPMQQFKKPJFAMEV-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.28
Rot. Bonds4

About [5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methanamine

[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methanamine (PubChem CID 113454081) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is [5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methanamine
PubChem CID113454081
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methanamine
SMILESNCc1ccc(OCc2cncc(Br)c2)cn1
InChIInChI=1S/C12H12BrN3O/c13-10-3-9(5-15-6-10)8-17-12-2-1-11(4-14)16-7-12/h1-3,5-7H,4,8,14H2
InChIKeyPMQQFKKPJFAMEV-UHFFFAOYSA-N
XLogP2.28
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(5-methyl-3-pyridinyl)methoxy]-2-pyridinyl]methanamine
CID 102880469
3-bromo-5-[(4-bromophenoxy)methyl]pyridine
CID 115580483
N-[[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 104796391
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
1-[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]propan-1-amine
CID 104796044
3-bromo-5-[(3-chloro-4-fluorophenoxy)methyl]pyridine
CID 115580509
[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-dimethylphenyl]methanamine
CID 104796055
N-[[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796087
[2-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]methanamine
CID 104796178
3-bromo-5-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 104798995

Frequently Asked Questions

What is the IUPAC name of [5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methanamine?
The IUPAC name of [5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methanamine (CID 113454081) is [5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methanamine.
What is the SMILES notation for [5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methanamine?
The canonical SMILES for [5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methanamine is NCc1ccc(OCc2cncc(Br)c2)cn1.
What is the InChIKey of [5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methanamine?
The InChIKey is PMQQFKKPJFAMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-10-3-9(5-15-6-10)8-17-12-2-1-11(4-14)16-7-12/h1-3,5-7H,4,8,14H2.
What are the key properties of [5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methanamine?
[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methanamine has a molecular weight of 294.15 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methanamine is sourced from PubChem (CID 113454081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).