1-(3-bromo-5-chloro-2-pyridinyl)-5-methylpiperidin-3-amine

C11H15BrClN3 — CID 114836358

IUPAC1-(3-bromo-5-chloro-2-pyridinyl)-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(c2ncc(Cl)cc2Br)C1
InChIInChI=1S/C11H15BrClN3/c1-7-2-9(14)6-16(5-7)11-10(12)3-8(13)4-15-11/h3-4,7,9H,2,5-6,14H2,1H3
InChIKeyIDFSDQCNNDLDHZ-UHFFFAOYSA-N
MW304.62 g/mol
LogP2.67
Rot. Bonds1

About 1-(3-bromo-5-chloro-2-pyridinyl)-5-methylpiperidin-3-amine

1-(3-bromo-5-chloro-2-pyridinyl)-5-methylpiperidin-3-amine (PubChem CID 114836358) has the molecular formula C11H15BrClN3 and a molecular weight of 304.62 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-pyridinyl)-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-pyridinyl)-5-methylpiperidin-3-amine
PubChem CID114836358
Molecular FormulaC11H15BrClN3
Molecular Weight304.62 g/mol
Exact Mass303.01
IUPAC Name1-(3-bromo-5-chloro-2-pyridinyl)-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(c2ncc(Cl)cc2Br)C1
InChIInChI=1S/C11H15BrClN3/c1-7-2-9(14)6-16(5-7)11-10(12)3-8(13)4-15-11/h3-4,7,9H,2,5-6,14H2,1H3
InChIKeyIDFSDQCNNDLDHZ-UHFFFAOYSA-N
XLogP2.67
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-amine
CID 114836322
1-(5-bromo-3-chloro-2-pyridinyl)-5-methylpiperidin-3-amine
CID 103582851
1-(3-bromo-5-nitro-2-pyridinyl)-5-methylpiperidin-3-amine
CID 79994412
4-(3-bromo-5-chloro-2-pyridinyl)-2,6-dimethylthiomorpholine
CID 114837132
1-(5-bromo-4-methyl-2-pyridinyl)-5-methylpiperidin-3-amine
CID 114869589
3-bromo-2-(3,5-dimethylpiperidin-1-yl)-5-methylpyridine
CID 105367629
(3aS,6aR)-5-(3-bromo-5-chloro-2-pyridinyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 128564387
2-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-4-yl]ethanamine
CID 114836313
2-(3-bromo-5-chloro-2-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 114836392
5-chloro-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 70552616
1-(5-bromoisoquinolin-1-yl)-5-methylpiperidin-3-amine
CID 106540899
1-[1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-yl]piperazine
CID 114836339

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-pyridinyl)-5-methylpiperidin-3-amine?
The IUPAC name of 1-(3-bromo-5-chloro-2-pyridinyl)-5-methylpiperidin-3-amine (CID 114836358) is 1-(3-bromo-5-chloro-2-pyridinyl)-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-pyridinyl)-5-methylpiperidin-3-amine?
The canonical SMILES for 1-(3-bromo-5-chloro-2-pyridinyl)-5-methylpiperidin-3-amine is CC1CC(N)CN(c2ncc(Cl)cc2Br)C1.
What is the InChIKey of 1-(3-bromo-5-chloro-2-pyridinyl)-5-methylpiperidin-3-amine?
The InChIKey is IDFSDQCNNDLDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN3/c1-7-2-9(14)6-16(5-7)11-10(12)3-8(13)4-15-11/h3-4,7,9H,2,5-6,14H2,1H3.
What are the key properties of 1-(3-bromo-5-chloro-2-pyridinyl)-5-methylpiperidin-3-amine?
1-(3-bromo-5-chloro-2-pyridinyl)-5-methylpiperidin-3-amine has a molecular weight of 304.62 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-pyridinyl)-5-methylpiperidin-3-amine is sourced from PubChem (CID 114836358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).