5-bromo-3-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine

C12H17BrClN3 — CID 103582512

IUPAC5-bromo-3-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
SMILESClc1cc(Br)cnc1NCCCN1CCCC1
InChIInChI=1S/C12H17BrClN3/c13-10-8-11(14)12(16-9-10)15-4-3-7-17-5-1-2-6-17/h8-9H,1-7H2,(H,15,16)
InChIKeyKXGQPXAFXLSMEC-UHFFFAOYSA-N
MW318.65 g/mol
LogP3.40
Rot. Bonds5

About 5-bromo-3-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine

5-bromo-3-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine (PubChem CID 103582512) has the molecular formula C12H17BrClN3 and a molecular weight of 318.65 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
PubChem CID103582512
Molecular FormulaC12H17BrClN3
Molecular Weight318.65 g/mol
Exact Mass317.03
IUPAC Name5-bromo-3-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
SMILESClc1cc(Br)cnc1NCCCN1CCCC1
InChIInChI=1S/C12H17BrClN3/c13-10-8-11(14)12(16-9-10)15-4-3-7-17-5-1-2-6-17/h8-9H,1-7H2,(H,15,16)
InChIKeyKXGQPXAFXLSMEC-UHFFFAOYSA-N
XLogP3.40
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.65
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-5-bromo-3-chloropyridin-2-amine
CID 103582430
5-bromo-3-chloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine
CID 103582727
4-bromo-2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 63487853
5-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridin-2-amine
CID 103582417
N'-(5-bromo-3-chloro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
CID 103582726
1-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethyl]pyrrolidine-2,5-dione
CID 122147044
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-2,6-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 114014994
3,5-dichloro-4-fluoro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 107574009
5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 62993016

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine (CID 103582512) is 5-bromo-3-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine is Clc1cc(Br)cnc1NCCCN1CCCC1.
What is the InChIKey of 5-bromo-3-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine?
The InChIKey is KXGQPXAFXLSMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClN3/c13-10-8-11(14)12(16-9-10)15-4-3-7-17-5-1-2-6-17/h8-9H,1-7H2,(H,15,16).
What are the key properties of 5-bromo-3-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine?
5-bromo-3-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine has a molecular weight of 318.65 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine is sourced from PubChem (CID 103582512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).