N-(5-bromo-3-chloro-2-pyridinyl)azepan-4-amine

C11H15BrClN3 — CID 107173501

IUPACN-(5-bromo-3-chloro-2-pyridinyl)azepan-4-amine
SMILESClc1cc(Br)cnc1NC1CCCNCC1
InChIInChI=1S/C11H15BrClN3/c12-8-6-10(13)11(15-7-8)16-9-2-1-4-14-5-3-9/h6-7,9,14H,1-5H2,(H,15,16)
InChIKeyYQILYLAXTGPPQB-UHFFFAOYSA-N
MW304.62 g/mol
LogP3.05
Rot. Bonds2

About N-(5-bromo-3-chloro-2-pyridinyl)azepan-4-amine

N-(5-bromo-3-chloro-2-pyridinyl)azepan-4-amine (PubChem CID 107173501) has the molecular formula C11H15BrClN3 and a molecular weight of 304.62 g/mol. Its IUPAC name is N-(5-bromo-3-chloro-2-pyridinyl)azepan-4-amine.

Molecular Properties

Compound NameN-(5-bromo-3-chloro-2-pyridinyl)azepan-4-amine
PubChem CID107173501
Molecular FormulaC11H15BrClN3
Molecular Weight304.62 g/mol
Exact Mass303.01
IUPAC NameN-(5-bromo-3-chloro-2-pyridinyl)azepan-4-amine
SMILESClc1cc(Br)cnc1NC1CCCNCC1
InChIInChI=1S/C11H15BrClN3/c12-8-6-10(13)11(15-7-8)16-9-2-1-4-14-5-3-9/h6-7,9,14H,1-5H2,(H,15,16)
InChIKeyYQILYLAXTGPPQB-UHFFFAOYSA-N
XLogP3.05
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-chloro-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 103579990
5-bromo-3-chloro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 103582744
3-[(5-bromo-3-chloro-2-pyridinyl)amino]piperidin-2-one
CID 103582487
5-bromo-3-chloro-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
CID 103579980
methyl 4-[(5-bromo-3-chloro-2-pyridinyl)amino]cyclohexane-1-carboxylate
CID 103583959
3,5-dichloro-N-cyclooctylpyridin-2-amine
CID 28517961
(E)-3-[5-chloro-6-(piperidin-4-ylamino)-3-pyridinyl]prop-2-enoic acid
CID 68964760
5-bromo-3-chloro-N-[2-(chloromethyl)cyclopentyl]pyridin-2-amine
CID 106365408
N-(5-chloro-2-methoxypyrimidin-4-yl)azepan-4-amine
CID 107173705
5-bromo-N-cyclobutyl-3-fluoropyridin-2-amine
CID 104924229
5-bromo-3-chloro-N-(2,2-dimethylcyclopropyl)pyridin-2-amine
CID 103582483
N-(3,5-dichloro-4-fluorophenyl)azepan-4-amine
CID 107572825

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-chloro-2-pyridinyl)azepan-4-amine?
The IUPAC name of N-(5-bromo-3-chloro-2-pyridinyl)azepan-4-amine (CID 107173501) is N-(5-bromo-3-chloro-2-pyridinyl)azepan-4-amine.
What is the SMILES notation for N-(5-bromo-3-chloro-2-pyridinyl)azepan-4-amine?
The canonical SMILES for N-(5-bromo-3-chloro-2-pyridinyl)azepan-4-amine is Clc1cc(Br)cnc1NC1CCCNCC1.
What is the InChIKey of N-(5-bromo-3-chloro-2-pyridinyl)azepan-4-amine?
The InChIKey is YQILYLAXTGPPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN3/c12-8-6-10(13)11(15-7-8)16-9-2-1-4-14-5-3-9/h6-7,9,14H,1-5H2,(H,15,16).
What are the key properties of N-(5-bromo-3-chloro-2-pyridinyl)azepan-4-amine?
N-(5-bromo-3-chloro-2-pyridinyl)azepan-4-amine has a molecular weight of 304.62 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-chloro-2-pyridinyl)azepan-4-amine is sourced from PubChem (CID 107173501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).