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

C9H11BrClN3 — CID 103584239

IUPAC[1-(5-bromo-3-chloro-2-pyridinyl)azetidin-3-yl]methanamine
SMILESNCC1CN(c2ncc(Br)cc2Cl)C1
InChIInChI=1S/C9H11BrClN3/c10-7-1-8(11)9(13-3-7)14-4-6(2-12)5-14/h1,3,6H,2,4-5,12H2
InChIKeyKUMNDFOZFRBNCZ-UHFFFAOYSA-N
MW276.56 g/mol
LogP1.89
Rot. Bonds2

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

[1-(5-bromo-3-chloro-2-pyridinyl)azetidin-3-yl]methanamine (PubChem CID 103584239) has the molecular formula C9H11BrClN3 and a molecular weight of 276.56 g/mol. Its IUPAC name is [1-(5-bromo-3-chloro-2-pyridinyl)azetidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(5-bromo-3-chloro-2-pyridinyl)azetidin-3-yl]methanamine
PubChem CID103584239
Molecular FormulaC9H11BrClN3
Molecular Weight276.56 g/mol
Exact Mass274.98
IUPAC Name[1-(5-bromo-3-chloro-2-pyridinyl)azetidin-3-yl]methanamine
SMILESNCC1CN(c2ncc(Br)cc2Cl)C1
InChIInChI=1S/C9H11BrClN3/c10-7-1-8(11)9(13-3-7)14-4-6(2-12)5-14/h1,3,6H,2,4-5,12H2
InChIKeyKUMNDFOZFRBNCZ-UHFFFAOYSA-N
XLogP1.89
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanamine
CID 79717951
[4-(5-bromo-3-chloro-2-pyridinyl)-6-methylmorpholin-2-yl]methanamine
CID 103584271
1-(5-bromo-3-chloro-2-pyridinyl)-5-methylpiperidin-3-amine
CID 103582851
5-bromo-3-chloro-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine
CID 163357183
2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]ethanamine
CID 103582181
4-(5-bromo-3-chloro-2-pyridinyl)-2-(chloromethyl)-6-methylmorpholine
CID 103584209
(3S)-1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidin-3-ol
CID 103580205
4-(5-bromo-3-chloro-2-pyridinyl)-2-(bromomethyl)-6-methylmorpholine
CID 103584210
2-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]-N-methylethanamine
CID 103582806
[1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanol
CID 79718833
1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]ethanamine
CID 103582784
1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703181

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-3-chloro-2-pyridinyl)azetidin-3-yl]methanamine?
The IUPAC name of [1-(5-bromo-3-chloro-2-pyridinyl)azetidin-3-yl]methanamine (CID 103584239) is [1-(5-bromo-3-chloro-2-pyridinyl)azetidin-3-yl]methanamine.
What is the SMILES notation for [1-(5-bromo-3-chloro-2-pyridinyl)azetidin-3-yl]methanamine?
The canonical SMILES for [1-(5-bromo-3-chloro-2-pyridinyl)azetidin-3-yl]methanamine is NCC1CN(c2ncc(Br)cc2Cl)C1.
What is the InChIKey of [1-(5-bromo-3-chloro-2-pyridinyl)azetidin-3-yl]methanamine?
The InChIKey is KUMNDFOZFRBNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN3/c10-7-1-8(11)9(13-3-7)14-4-6(2-12)5-14/h1,3,6H,2,4-5,12H2.
What are the key properties of [1-(5-bromo-3-chloro-2-pyridinyl)azetidin-3-yl]methanamine?
[1-(5-bromo-3-chloro-2-pyridinyl)azetidin-3-yl]methanamine has a molecular weight of 276.56 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-3-chloro-2-pyridinyl)azetidin-3-yl]methanamine is sourced from PubChem (CID 103584239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).