3-bromo-5-chloro-N-(pyridin-2-ylmethyl)pyridin-2-amine

C11H9BrClN3 — CID 114835632

IUPAC3-bromo-5-chloro-N-(pyridin-2-ylmethyl)pyridin-2-amine
SMILESClc1cnc(NCc2ccccn2)c(Br)c1
InChIInChI=1S/C11H9BrClN3/c12-10-5-8(13)6-15-11(10)16-7-9-3-1-2-4-14-9/h1-6H,7H2,(H,15,16)
InChIKeyZKNDLLJMYXMBCQ-UHFFFAOYSA-N
MW298.57 g/mol
LogP3.50
Rot. Bonds3

About 3-bromo-5-chloro-N-(pyridin-2-ylmethyl)pyridin-2-amine

3-bromo-5-chloro-N-(pyridin-2-ylmethyl)pyridin-2-amine (PubChem CID 114835632) has the molecular formula C11H9BrClN3 and a molecular weight of 298.57 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(pyridin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(pyridin-2-ylmethyl)pyridin-2-amine
PubChem CID114835632
Molecular FormulaC11H9BrClN3
Molecular Weight298.57 g/mol
Exact Mass296.97
IUPAC Name3-bromo-5-chloro-N-(pyridin-2-ylmethyl)pyridin-2-amine
SMILESClc1cnc(NCc2ccccn2)c(Br)c1
InChIInChI=1S/C11H9BrClN3/c12-10-5-8(13)6-15-11(10)16-7-9-3-1-2-4-14-9/h1-6H,7H2,(H,15,16)
InChIKeyZKNDLLJMYXMBCQ-UHFFFAOYSA-N
XLogP3.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.57
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 112675579
3-bromo-5-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine
CID 114835829
[3-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 114836485
3-bromo-5-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-2-amine
CID 114835748
3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114835594
3-bromo-5-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine
CID 114835941
3-bromo-5-chloro-N-(3-phenylpropyl)pyridin-2-amine
CID 114835697
5-bromo-2-chloro-N-(pyridin-2-ylmethyl)aniline
CID 62913558
3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine
CID 114835853
3-fluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 62733415
N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine
CID 114835533
3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 114838460

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-(pyridin-2-ylmethyl)pyridin-2-amine (CID 114835632) is 3-bromo-5-chloro-N-(pyridin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-(pyridin-2-ylmethyl)pyridin-2-amine is Clc1cnc(NCc2ccccn2)c(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The InChIKey is ZKNDLLJMYXMBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3/c12-10-5-8(13)6-15-11(10)16-7-9-3-1-2-4-14-9/h1-6H,7H2,(H,15,16).
What are the key properties of 3-bromo-5-chloro-N-(pyridin-2-ylmethyl)pyridin-2-amine?
3-bromo-5-chloro-N-(pyridin-2-ylmethyl)pyridin-2-amine has a molecular weight of 298.57 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(pyridin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 114835632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).