5-bromo-3-chloro-N-(piperidin-4-ylmethyl)pyridin-2-amine

C11H15BrClN3 — CID 103582744

IUPAC5-bromo-3-chloro-N-(piperidin-4-ylmethyl)pyridin-2-amine
SMILESClc1cc(Br)cnc1NCC1CCNCC1
InChIInChI=1S/C11H15BrClN3/c12-9-5-10(13)11(16-7-9)15-6-8-1-3-14-4-2-8/h5,7-8,14H,1-4,6H2,(H,15,16)
InChIKeyMWUUIRMKJXBLNQ-UHFFFAOYSA-N
MW304.62 g/mol
LogP2.91
Rot. Bonds3

About 5-bromo-3-chloro-N-(piperidin-4-ylmethyl)pyridin-2-amine

5-bromo-3-chloro-N-(piperidin-4-ylmethyl)pyridin-2-amine (PubChem CID 103582744) has the molecular formula C11H15BrClN3 and a molecular weight of 304.62 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-(piperidin-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-(piperidin-4-ylmethyl)pyridin-2-amine
PubChem CID103582744
Molecular FormulaC11H15BrClN3
Molecular Weight304.62 g/mol
Exact Mass303.01
IUPAC Name5-bromo-3-chloro-N-(piperidin-4-ylmethyl)pyridin-2-amine
SMILESClc1cc(Br)cnc1NCC1CCNCC1
InChIInChI=1S/C11H15BrClN3/c12-9-5-10(13)11(16-7-9)15-6-8-1-3-14-4-2-8/h5,7-8,14H,1-4,6H2,(H,15,16)
InChIKeyMWUUIRMKJXBLNQ-UHFFFAOYSA-N
XLogP2.91
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-chloro-N-[(4-methylcyclohexyl)methyl]pyridin-2-amine
CID 103582514
5-bromo-3-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine
CID 103584118
N-(5-bromo-3-chloro-2-pyridinyl)azepan-4-amine
CID 107173501
5-bromo-3-chloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine
CID 103582727
3-chloro-N-[[(3R)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97165073
5-bromo-3-chloro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 103580137
5-bromo-3-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 103580083
5-bromo-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride
CID 71636378
N'-(5-bromo-3-chloro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
CID 103582726
3-bromo-5-chloro-N-(cyclopropylmethyl)pyridin-2-amine
CID 114835596
5-bromo-3-chloro-N-propylpyridin-2-amine
CID 82480708
N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 103582280

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-(piperidin-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-(piperidin-4-ylmethyl)pyridin-2-amine (CID 103582744) is 5-bromo-3-chloro-N-(piperidin-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-(piperidin-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-(piperidin-4-ylmethyl)pyridin-2-amine is Clc1cc(Br)cnc1NCC1CCNCC1.
What is the InChIKey of 5-bromo-3-chloro-N-(piperidin-4-ylmethyl)pyridin-2-amine?
The InChIKey is MWUUIRMKJXBLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN3/c12-9-5-10(13)11(16-7-9)15-6-8-1-3-14-4-2-8/h5,7-8,14H,1-4,6H2,(H,15,16).
What are the key properties of 5-bromo-3-chloro-N-(piperidin-4-ylmethyl)pyridin-2-amine?
5-bromo-3-chloro-N-(piperidin-4-ylmethyl)pyridin-2-amine has a molecular weight of 304.62 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-(piperidin-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 103582744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).