5-bromo-3-chloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine

C11H16BrClN4 — CID 103582727

IUPAC5-bromo-3-chloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine
SMILESClc1cc(Br)cnc1NCCN1CCNCC1
InChIInChI=1S/C11H16BrClN4/c12-9-7-10(13)11(16-8-9)15-3-6-17-4-1-14-2-5-17/h7-8,14H,1-6H2,(H,15,16)
InChIKeyFGOQMDWIHYLTNC-UHFFFAOYSA-N
MW319.63 g/mol
LogP1.81
Rot. Bonds4

About 5-bromo-3-chloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine

5-bromo-3-chloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine (PubChem CID 103582727) has the molecular formula C11H16BrClN4 and a molecular weight of 319.63 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine
PubChem CID103582727
Molecular FormulaC11H16BrClN4
Molecular Weight319.63 g/mol
Exact Mass318.02
IUPAC Name5-bromo-3-chloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine
SMILESClc1cc(Br)cnc1NCCN1CCNCC1
InChIInChI=1S/C11H16BrClN4/c12-9-7-10(13)11(16-8-9)15-3-6-17-4-1-14-2-5-17/h7-8,14H,1-6H2,(H,15,16)
InChIKeyFGOQMDWIHYLTNC-UHFFFAOYSA-N
XLogP1.81
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-5-bromo-3-chloropyridin-2-amine
CID 103582430
3,5-dichloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine
CID 43600403
5-bromo-3-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 103582512
1-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethyl]pyrrolidine-2,5-dione
CID 122147044
5-bromo-3-chloro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 103582744
5-bromo-3-chloro-N-propylpyridin-2-amine
CID 82480708
N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 103582280
5-bromo-3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine
CID 103582503
4-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43599807
N'-(5-bromo-3-chloro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
CID 103582726
5-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridin-2-amine
CID 103582417
5-chloro-6-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxylic acid
CID 114173858

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine (CID 103582727) is 5-bromo-3-chloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine is Clc1cc(Br)cnc1NCCN1CCNCC1.
What is the InChIKey of 5-bromo-3-chloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine?
The InChIKey is FGOQMDWIHYLTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN4/c12-9-7-10(13)11(16-8-9)15-3-6-17-4-1-14-2-5-17/h7-8,14H,1-6H2,(H,15,16).
What are the key properties of 5-bromo-3-chloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine?
5-bromo-3-chloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine has a molecular weight of 319.63 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine is sourced from PubChem (CID 103582727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).