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

C12H12BrN3O — CID 114199251

IUPAC[2-[(5-bromo-3-pyridinyl)oxymethyl]-3-pyridinyl]methanamine
SMILESNCc1cccnc1COc1cncc(Br)c1
InChIInChI=1S/C12H12BrN3O/c13-10-4-11(7-15-6-10)17-8-12-9(5-14)2-1-3-16-12/h1-4,6-7H,5,8,14H2
InChIKeyUCSXTLVTLMOAPL-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.28
Rot. Bonds4

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

[2-[(5-bromo-3-pyridinyl)oxymethyl]-3-pyridinyl]methanamine (PubChem CID 114199251) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is [2-[(5-bromo-3-pyridinyl)oxymethyl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[(5-bromo-3-pyridinyl)oxymethyl]-3-pyridinyl]methanamine
PubChem CID114199251
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name[2-[(5-bromo-3-pyridinyl)oxymethyl]-3-pyridinyl]methanamine
SMILESNCc1cccnc1COc1cncc(Br)c1
InChIInChI=1S/C12H12BrN3O/c13-10-4-11(7-15-6-10)17-8-12-9(5-14)2-1-3-16-12/h1-4,6-7H,5,8,14H2
InChIKeyUCSXTLVTLMOAPL-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

[2-(phenoxymethyl)-3-pyridinyl]methanamine
CID 105467789
[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine
CID 107558968
[2-[(4-methylphenoxy)methyl]-3-pyridinyl]methanamine
CID 105485819
[3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine
CID 62894701
3-bromo-5-phenylmethoxypyridine
CID 15389198
[3-[(4-bromophenoxy)methyl]-2-pyridinyl]methanamine
CID 62895549
3-[(5-chloro-3-pyridinyl)oxymethyl]pyridin-2-amine
CID 64600258
2-[(5-bromo-3-pyridinyl)oxymethyl]-6-methylpyridine
CID 79267890
2-[(5-bromo-3-pyridinyl)oxy]ethanamine;hydrochloride
CID 67097508
[2-[(2-methoxyphenoxy)methyl]-3-pyridinyl]methanamine
CID 114199233
[2-[(2-fluorophenoxy)methyl]-3-pyridinyl]methanamine
CID 114199215
[2-[(2,4-dimethylphenoxy)methyl]-3-pyridinyl]methanamine
CID 114199212

Frequently Asked Questions

What is the IUPAC name of [2-[(5-bromo-3-pyridinyl)oxymethyl]-3-pyridinyl]methanamine?
The IUPAC name of [2-[(5-bromo-3-pyridinyl)oxymethyl]-3-pyridinyl]methanamine (CID 114199251) is [2-[(5-bromo-3-pyridinyl)oxymethyl]-3-pyridinyl]methanamine.
What is the SMILES notation for [2-[(5-bromo-3-pyridinyl)oxymethyl]-3-pyridinyl]methanamine?
The canonical SMILES for [2-[(5-bromo-3-pyridinyl)oxymethyl]-3-pyridinyl]methanamine is NCc1cccnc1COc1cncc(Br)c1.
What is the InChIKey of [2-[(5-bromo-3-pyridinyl)oxymethyl]-3-pyridinyl]methanamine?
The InChIKey is UCSXTLVTLMOAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-10-4-11(7-15-6-10)17-8-12-9(5-14)2-1-3-16-12/h1-4,6-7H,5,8,14H2.
What are the key properties of [2-[(5-bromo-3-pyridinyl)oxymethyl]-3-pyridinyl]methanamine?
[2-[(5-bromo-3-pyridinyl)oxymethyl]-3-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 [2-[(5-bromo-3-pyridinyl)oxymethyl]-3-pyridinyl]methanamine is sourced from PubChem (CID 114199251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).