(3,6-dichloro-2-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

C13H16Cl2N2O2 — CID 103677851

IUPAC(3,6-dichloro-2-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)c2nc(Cl)ccc2Cl)CC1
InChIInChI=1S/C13H16Cl2N2O2/c1-8(18)9-4-6-17(7-5-9)13(19)12-10(14)2-3-11(15)16-12/h2-3,8-9,18H,4-7H2,1H3
InChIKeyRPSHGJPEVQQSNQ-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.62
Rot. Bonds2

About (3,6-dichloro-2-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

(3,6-dichloro-2-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 103677851) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is (3,6-dichloro-2-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,6-dichloro-2-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID103677851
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name(3,6-dichloro-2-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)c2nc(Cl)ccc2Cl)CC1
InChIInChI=1S/C13H16Cl2N2O2/c1-8(18)9-4-6-17(7-5-9)13(19)12-10(14)2-3-11(15)16-12/h2-3,8-9,18H,4-7H2,1H3
InChIKeyRPSHGJPEVQQSNQ-UHFFFAOYSA-N
XLogP2.62
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.62
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

(3,6-dichloro-2-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 103723510
(3,6-dichloro-2-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62941925
[3-chloro-6-(ethylamino)-2-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115967033
(3,6-dichloro-2-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 43179258
(6-amino-3-chloro-2-pyridinyl)-(4-ethylpiperidin-1-yl)methanone
CID 55041866
(3,6-dichloro-2-pyridinyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51148520
[4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 104954674
(6-chloro-2-pyridinyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112624904
(3,6-dichloro-2-pyridinyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63633965
(3,6-dichloro-2-pyridinyl)-[(3S)-3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methanone
CID 96568387
(3,6-dichloro-2-pyridinyl)-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methanone
CID 71993989
[3-chloro-6-(ethylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62186546

Frequently Asked Questions

What is the IUPAC name of (3,6-dichloro-2-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (3,6-dichloro-2-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (CID 103677851) is (3,6-dichloro-2-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,6-dichloro-2-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3,6-dichloro-2-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is CC(O)C1CCN(C(=O)c2nc(Cl)ccc2Cl)CC1.
What is the InChIKey of (3,6-dichloro-2-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is RPSHGJPEVQQSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-8(18)9-4-6-17(7-5-9)13(19)12-10(14)2-3-11(15)16-12/h2-3,8-9,18H,4-7H2,1H3.
What are the key properties of (3,6-dichloro-2-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
(3,6-dichloro-2-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 303.19 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dichloro-2-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 103677851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).