(2-chloro-6-methyl-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone

C12H15ClN2O2 — CID 113378343

IUPAC(2-chloro-6-methyl-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(O)C2)cc(Cl)n1
InChIInChI=1S/C12H15ClN2O2/c1-8-5-9(6-11(13)14-8)12(17)15-4-2-3-10(16)7-15/h5-6,10,16H,2-4,7H2,1H3
InChIKeyUEDLEYJJTDSHQM-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.64
Rot. Bonds1

About (2-chloro-6-methyl-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone

(2-chloro-6-methyl-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 113378343) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is (2-chloro-6-methyl-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-methyl-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
PubChem CID113378343
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name(2-chloro-6-methyl-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(O)C2)cc(Cl)n1
InChIInChI=1S/C12H15ClN2O2/c1-8-5-9(6-11(13)14-8)12(17)15-4-2-3-10(16)7-15/h5-6,10,16H,2-4,7H2,1H3
InChIKeyUEDLEYJJTDSHQM-UHFFFAOYSA-N
XLogP1.64
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-6-methyl-4-pyridinyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 104954666
(3-chloro-4-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224293
(2-chloro-6-ethyl-4-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 107877627
[2-chloro-6-(dimethylamino)-4-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561849
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
(2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113348347
(2S)-1-(2-chloro-6-methylpyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 114036548
1-(2-chloro-6-methylpyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 113378308
(3-amino-4,5-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 61094418
(3,4-dihydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300644
(2-chloro-6-hydrazinyl-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 62247185
(2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 61060522

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methyl-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (2-chloro-6-methyl-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone (CID 113378343) is (2-chloro-6-methyl-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-6-methyl-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (2-chloro-6-methyl-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone is Cc1cc(C(=O)N2CCCC(O)C2)cc(Cl)n1.
What is the InChIKey of (2-chloro-6-methyl-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is UEDLEYJJTDSHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-8-5-9(6-11(13)14-8)12(17)15-4-2-3-10(16)7-15/h5-6,10,16H,2-4,7H2,1H3.
What are the key properties of (2-chloro-6-methyl-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone?
(2-chloro-6-methyl-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 254.72 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methyl-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 113378343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).