3-[(5-bromo-3-chloro-2-pyridinyl)amino]piperidin-2-one

C10H11BrClN3O — CID 103582487

IUPAC3-[(5-bromo-3-chloro-2-pyridinyl)amino]piperidin-2-one
SMILESO=C1NCCCC1Nc1ncc(Br)cc1Cl
InChIInChI=1S/C10H11BrClN3O/c11-6-4-7(12)9(14-5-6)15-8-2-1-3-13-10(8)16/h4-5,8H,1-3H2,(H,13,16)(H,14,15)
InChIKeyPXLCYVWETOFMKU-UHFFFAOYSA-N
MW304.58 g/mol
LogP2.19
Rot. Bonds2

About 3-[(5-bromo-3-chloro-2-pyridinyl)amino]piperidin-2-one

3-[(5-bromo-3-chloro-2-pyridinyl)amino]piperidin-2-one (PubChem CID 103582487) has the molecular formula C10H11BrClN3O and a molecular weight of 304.58 g/mol. Its IUPAC name is 3-[(5-bromo-3-chloro-2-pyridinyl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(5-bromo-3-chloro-2-pyridinyl)amino]piperidin-2-one
PubChem CID103582487
Molecular FormulaC10H11BrClN3O
Molecular Weight304.58 g/mol
Exact Mass302.98
IUPAC Name3-[(5-bromo-3-chloro-2-pyridinyl)amino]piperidin-2-one
SMILESO=C1NCCCC1Nc1ncc(Br)cc1Cl
InChIInChI=1S/C10H11BrClN3O/c11-6-4-7(12)9(14-5-6)15-8-2-1-3-13-10(8)16/h4-5,8H,1-3H2,(H,13,16)(H,14,15)
InChIKeyPXLCYVWETOFMKU-UHFFFAOYSA-N
XLogP2.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.58
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromopyrimidin-2-yl)amino]piperidin-2-one
CID 63873802
N-(5-bromo-3-chloro-2-pyridinyl)azepan-4-amine
CID 107173501
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]piperidin-2-one
CID 102757774
4-bromo-2,6-dichloro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49149515
5-amino-2-[(2-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid
CID 114047149
5-bromo-2-chloro-N-(2-oxoazepan-3-yl)pyridine-3-sulfonamide
CID 61060873
5-nitro-6-[(2-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile
CID 103471557
5-bromo-3-chloro-N-[2-(chloromethyl)cyclopentyl]pyridin-2-amine
CID 106365408
5-bromo-3-chloro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 103582744
3-[(2-chloropyrimidin-4-yl)amino]piperidin-2-one
CID 62341701
5-bromo-N-(2-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 62094279
5-bromo-3-chloro-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
CID 103579980

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-chloro-2-pyridinyl)amino]piperidin-2-one?
The IUPAC name of 3-[(5-bromo-3-chloro-2-pyridinyl)amino]piperidin-2-one (CID 103582487) is 3-[(5-bromo-3-chloro-2-pyridinyl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(5-bromo-3-chloro-2-pyridinyl)amino]piperidin-2-one?
The canonical SMILES for 3-[(5-bromo-3-chloro-2-pyridinyl)amino]piperidin-2-one is O=C1NCCCC1Nc1ncc(Br)cc1Cl.
What is the InChIKey of 3-[(5-bromo-3-chloro-2-pyridinyl)amino]piperidin-2-one?
The InChIKey is PXLCYVWETOFMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN3O/c11-6-4-7(12)9(14-5-6)15-8-2-1-3-13-10(8)16/h4-5,8H,1-3H2,(H,13,16)(H,14,15).
What are the key properties of 3-[(5-bromo-3-chloro-2-pyridinyl)amino]piperidin-2-one?
3-[(5-bromo-3-chloro-2-pyridinyl)amino]piperidin-2-one has a molecular weight of 304.58 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-chloro-2-pyridinyl)amino]piperidin-2-one is sourced from PubChem (CID 103582487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).