N-[2-(azepan-1-yl)ethyl]-5-bromo-3-chloropyridin-2-amine

C13H19BrClN3 — CID 103582430

IUPACN-[2-(azepan-1-yl)ethyl]-5-bromo-3-chloropyridin-2-amine
SMILESClc1cc(Br)cnc1NCCN1CCCCCC1
InChIInChI=1S/C13H19BrClN3/c14-11-9-12(15)13(17-10-11)16-5-8-18-6-3-1-2-4-7-18/h9-10H,1-8H2,(H,16,17)
InChIKeyNRUFYPUYEWWDGA-UHFFFAOYSA-N
MW332.67 g/mol
LogP3.79
Rot. Bonds4

About N-[2-(azepan-1-yl)ethyl]-5-bromo-3-chloropyridin-2-amine

N-[2-(azepan-1-yl)ethyl]-5-bromo-3-chloropyridin-2-amine (PubChem CID 103582430) has the molecular formula C13H19BrClN3 and a molecular weight of 332.67 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-5-bromo-3-chloropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-5-bromo-3-chloropyridin-2-amine
PubChem CID103582430
Molecular FormulaC13H19BrClN3
Molecular Weight332.67 g/mol
Exact Mass331.05
IUPAC NameN-[2-(azepan-1-yl)ethyl]-5-bromo-3-chloropyridin-2-amine
SMILESClc1cc(Br)cnc1NCCN1CCCCCC1
InChIInChI=1S/C13H19BrClN3/c14-11-9-12(15)13(17-10-11)16-5-8-18-6-3-1-2-4-7-18/h9-10H,1-8H2,(H,16,17)
InChIKeyNRUFYPUYEWWDGA-UHFFFAOYSA-N
XLogP3.79
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 103582512
5-bromo-3-chloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine
CID 103582727
1-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethyl]pyrrolidine-2,5-dione
CID 122147044
5-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridin-2-amine
CID 103582417
4-bromo-2,6-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 114014994
N-[2-(azepan-1-yl)ethyl]-3-chloropyridin-2-amine
CID 61241551
3,5,6-trichloro-N-(2-piperidin-1-ylethyl)pyridin-2-amine
CID 102750717
3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine
CID 79531632
5-bromo-3-chloro-N-propylpyridin-2-amine
CID 82480708
N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 103582280
3,5-dichloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine
CID 43600403
3,5-dichloro-2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine
CID 102757956

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-5-bromo-3-chloropyridin-2-amine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-5-bromo-3-chloropyridin-2-amine (CID 103582430) is N-[2-(azepan-1-yl)ethyl]-5-bromo-3-chloropyridin-2-amine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-5-bromo-3-chloropyridin-2-amine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-5-bromo-3-chloropyridin-2-amine is Clc1cc(Br)cnc1NCCN1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-5-bromo-3-chloropyridin-2-amine?
The InChIKey is NRUFYPUYEWWDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClN3/c14-11-9-12(15)13(17-10-11)16-5-8-18-6-3-1-2-4-7-18/h9-10H,1-8H2,(H,16,17).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-5-bromo-3-chloropyridin-2-amine?
N-[2-(azepan-1-yl)ethyl]-5-bromo-3-chloropyridin-2-amine has a molecular weight of 332.67 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-5-bromo-3-chloropyridin-2-amine is sourced from PubChem (CID 103582430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).