1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-amine

C8H9BrClN3 — CID 114836322

IUPAC1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-amine
SMILESNC1CN(c2ncc(Cl)cc2Br)C1
InChIInChI=1S/C8H9BrClN3/c9-7-1-5(10)2-12-8(7)13-3-6(11)4-13/h1-2,6H,3-4,11H2
InChIKeyRGPPEGQFMKXQMU-UHFFFAOYSA-N
MW262.54 g/mol
LogP1.64
Rot. Bonds1

About 1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-amine

1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-amine (PubChem CID 114836322) has the molecular formula C8H9BrClN3 and a molecular weight of 262.54 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-amine
PubChem CID114836322
Molecular FormulaC8H9BrClN3
Molecular Weight262.54 g/mol
Exact Mass260.97
IUPAC Name1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-amine
SMILESNC1CN(c2ncc(Cl)cc2Br)C1
InChIInChI=1S/C8H9BrClN3/c9-7-1-5(10)2-12-8(7)13-3-6(11)4-13/h1-2,6H,3-4,11H2
InChIKeyRGPPEGQFMKXQMU-UHFFFAOYSA-N
XLogP1.64
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.54
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-5-chloro-2-pyridinyl)-5-methylpiperidin-3-amine
CID 114836358
4-(3-bromo-5-chloro-2-pyridinyl)-2,6-dimethylthiomorpholine
CID 114837132
2-(3-bromo-5-chloro-2-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 114836392
(3aS,6aR)-5-(3-bromo-5-chloro-2-pyridinyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 128564387
1-[1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-yl]piperazine
CID 114836339
2-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-4-yl]ethanamine
CID 114836313
3-bromo-5-chloro-2-[3-(2-chloroethyl)pyrrolidin-1-yl]pyridine
CID 114838653
4-(3-bromo-5-chloro-2-pyridinyl)piperazine-2,6-dione
CID 114837207
1-(3-bromo-5-chloro-2-pyridinyl)-4-(4-chlorophenyl)piperazine
CID 114836681
1-(3-bromo-5-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663833
1-(3-bromo-5-chloro-2-pyridinyl)-4-propan-2-ylpiperazine
CID 114836752
4-[[(3R)-1-(3-bromo-5-chloro-2-pyridinyl)pyrrolidin-3-yl]methyl]morpholine
CID 99789373

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-amine?
The IUPAC name of 1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-amine (CID 114836322) is 1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-amine.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-amine?
The canonical SMILES for 1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-amine is NC1CN(c2ncc(Cl)cc2Br)C1.
What is the InChIKey of 1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-amine?
The InChIKey is RGPPEGQFMKXQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN3/c9-7-1-5(10)2-12-8(7)13-3-6(11)4-13/h1-2,6H,3-4,11H2.
What are the key properties of 1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-amine?
1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-amine has a molecular weight of 262.54 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-amine is sourced from PubChem (CID 114836322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).