[2-(azetidin-1-yl)-5-bromo-3-pyridinyl]methanamine

C9H12BrN3 — CID 130548423

IUPAC[2-(azetidin-1-yl)-5-bromo-3-pyridinyl]methanamine
SMILESNCc1cc(Br)cnc1N1CCC1
InChIInChI=1S/C9H12BrN3/c10-8-4-7(5-11)9(12-6-8)13-2-1-3-13/h4,6H,1-3,5,11H2
InChIKeyBJOBCFZVZOGSDN-UHFFFAOYSA-N
MW242.12 g/mol
LogP1.51
Rot. Bonds2

About [2-(azetidin-1-yl)-5-bromo-3-pyridinyl]methanamine

[2-(azetidin-1-yl)-5-bromo-3-pyridinyl]methanamine (PubChem CID 130548423) has the molecular formula C9H12BrN3 and a molecular weight of 242.12 g/mol. Its IUPAC name is [2-(azetidin-1-yl)-5-bromo-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(azetidin-1-yl)-5-bromo-3-pyridinyl]methanamine
PubChem CID130548423
Molecular FormulaC9H12BrN3
Molecular Weight242.12 g/mol
Exact Mass241.02
IUPAC Name[2-(azetidin-1-yl)-5-bromo-3-pyridinyl]methanamine
SMILESNCc1cc(Br)cnc1N1CCC1
InChIInChI=1S/C9H12BrN3/c10-8-4-7(5-11)9(12-6-8)13-2-1-3-13/h4,6H,1-3,5,11H2
InChIKeyBJOBCFZVZOGSDN-UHFFFAOYSA-N
XLogP1.51
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-2-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]methanamine
CID 130625562
[5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62285532
[5-bromo-2-(3-ethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62285485
[5-bromo-2-(3-methoxypiperidin-1-yl)-3-pyridinyl]methanamine
CID 102967838
[5-bromo-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine
CID 104960830
N-[(5-bromo-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
CID 62285747
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-bromo-3-pyridinyl]methanamine
CID 102728419
[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62299979
[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 63170938
N-[[5-bromo-2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62279135
2-(azetidin-1-yl)-5-bromopyridine-3-carbothioamide
CID 130561173
N-[(5-bromo-2-piperidin-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62281374

Frequently Asked Questions

What is the IUPAC name of [2-(azetidin-1-yl)-5-bromo-3-pyridinyl]methanamine?
The IUPAC name of [2-(azetidin-1-yl)-5-bromo-3-pyridinyl]methanamine (CID 130548423) is [2-(azetidin-1-yl)-5-bromo-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(azetidin-1-yl)-5-bromo-3-pyridinyl]methanamine?
The canonical SMILES for [2-(azetidin-1-yl)-5-bromo-3-pyridinyl]methanamine is NCc1cc(Br)cnc1N1CCC1.
What is the InChIKey of [2-(azetidin-1-yl)-5-bromo-3-pyridinyl]methanamine?
The InChIKey is BJOBCFZVZOGSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3/c10-8-4-7(5-11)9(12-6-8)13-2-1-3-13/h4,6H,1-3,5,11H2.
What are the key properties of [2-(azetidin-1-yl)-5-bromo-3-pyridinyl]methanamine?
[2-(azetidin-1-yl)-5-bromo-3-pyridinyl]methanamine has a molecular weight of 242.12 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azetidin-1-yl)-5-bromo-3-pyridinyl]methanamine is sourced from PubChem (CID 130548423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).