5-bromo-3-chloro-N-(1-methylpiperidin-4-yl)pyridin-2-amine

C11H15BrClN3 — CID 103579990

IUPAC5-bromo-3-chloro-N-(1-methylpiperidin-4-yl)pyridin-2-amine
SMILESCN1CCC(Nc2ncc(Br)cc2Cl)CC1
InChIInChI=1S/C11H15BrClN3/c1-16-4-2-9(3-5-16)15-11-10(13)6-8(12)7-14-11/h6-7,9H,2-5H2,1H3,(H,14,15)
InChIKeyCKTNVHBBTFDAOP-UHFFFAOYSA-N
MW304.62 g/mol
LogP3.00
Rot. Bonds2

About 5-bromo-3-chloro-N-(1-methylpiperidin-4-yl)pyridin-2-amine

5-bromo-3-chloro-N-(1-methylpiperidin-4-yl)pyridin-2-amine (PubChem CID 103579990) has the molecular formula C11H15BrClN3 and a molecular weight of 304.62 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-(1-methylpiperidin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-(1-methylpiperidin-4-yl)pyridin-2-amine
PubChem CID103579990
Molecular FormulaC11H15BrClN3
Molecular Weight304.62 g/mol
Exact Mass303.01
IUPAC Name5-bromo-3-chloro-N-(1-methylpiperidin-4-yl)pyridin-2-amine
SMILESCN1CCC(Nc2ncc(Br)cc2Cl)CC1
InChIInChI=1S/C11H15BrClN3/c1-16-4-2-9(3-5-16)15-11-10(13)6-8(12)7-14-11/h6-7,9H,2-5H2,1H3,(H,14,15)
InChIKeyCKTNVHBBTFDAOP-UHFFFAOYSA-N
XLogP3.00
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine
CID 61465020
N-(5-bromo-3-chloro-2-pyridinyl)azepan-4-amine
CID 107173501
5-chloro-3-fluoro-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 79728230
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
5-bromo-3-chloro-N-(2,2-dimethylcyclopropyl)pyridin-2-amine
CID 103582483
N-(4-bromo-2,6-dichlorophenyl)-1-methylpyrrolidin-3-amine
CID 62976883
5-bromo-2-hydrazinyl-N-(1-methylpiperidin-4-yl)pyridine-3-sulfonamide
CID 61299121
5-bromo-N-(1-ethylpiperidin-4-yl)-3-methylpyridin-2-amine
CID 79717567
5-bromo-3-chloro-N-(2,6-dimethylpiperidin-1-yl)pyridin-2-amine
CID 103582598
3,5-dichloro-N-cyclooctylpyridin-2-amine
CID 28517961
5-bromo-N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-3-methylpyridin-2-amine
CID 133373826

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-(1-methylpiperidin-4-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-(1-methylpiperidin-4-yl)pyridin-2-amine (CID 103579990) is 5-bromo-3-chloro-N-(1-methylpiperidin-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-(1-methylpiperidin-4-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-(1-methylpiperidin-4-yl)pyridin-2-amine is CN1CCC(Nc2ncc(Br)cc2Cl)CC1.
What is the InChIKey of 5-bromo-3-chloro-N-(1-methylpiperidin-4-yl)pyridin-2-amine?
The InChIKey is CKTNVHBBTFDAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN3/c1-16-4-2-9(3-5-16)15-11-10(13)6-8(12)7-14-11/h6-7,9H,2-5H2,1H3,(H,14,15).
What are the key properties of 5-bromo-3-chloro-N-(1-methylpiperidin-4-yl)pyridin-2-amine?
5-bromo-3-chloro-N-(1-methylpiperidin-4-yl)pyridin-2-amine has a molecular weight of 304.62 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-(1-methylpiperidin-4-yl)pyridin-2-amine is sourced from PubChem (CID 103579990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).