(3,6-dichloro-2-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

C10H10Cl2N2O2 — CID 103723510

IUPAC(3,6-dichloro-2-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1nc(Cl)ccc1Cl)N1CC[C@H](O)C1
InChIInChI=1S/C10H10Cl2N2O2/c11-7-1-2-8(12)13-9(7)10(16)14-4-3-6(15)5-14/h1-2,6,15H,3-5H2/t6-/m0/s1
InChIKeyNENKMEJGGOPYQI-LURJTMIESA-N
MW261.11 g/mol
LogP1.60
Rot. Bonds1

About (3,6-dichloro-2-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

(3,6-dichloro-2-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 103723510) has the molecular formula C10H10Cl2N2O2 and a molecular weight of 261.11 g/mol. Its IUPAC name is (3,6-dichloro-2-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,6-dichloro-2-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID103723510
Molecular FormulaC10H10Cl2N2O2
Molecular Weight261.11 g/mol
Exact Mass260.01
IUPAC Name(3,6-dichloro-2-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1nc(Cl)ccc1Cl)N1CC[C@H](O)C1
InChIInChI=1S/C10H10Cl2N2O2/c11-7-1-2-8(12)13-9(7)10(16)14-4-3-6(15)5-14/h1-2,6,15H,3-5H2/t6-/m0/s1
InChIKeyNENKMEJGGOPYQI-LURJTMIESA-N
XLogP1.60
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 51.60
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)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62941925
(3,6-dichloro-2-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 43179258
(3,6-dichloro-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61051195
(3,6-dichloro-2-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 103677851
(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261191
(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
[(3R)-3-hydroxypyrrolidin-1-yl]-(3,4,5-trichloro-2-pyridinyl)methanone
CID 66261197
(3-chloro-6-hydrazinyl-2-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 62242899
(3,6-dichloro-2-pyridinyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63633965
[3-chloro-6-(methylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102964681
(6-amino-3-chloro-2-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106673826

Frequently Asked Questions

What is the IUPAC name of (3,6-dichloro-2-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (3,6-dichloro-2-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (CID 103723510) is (3,6-dichloro-2-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,6-dichloro-2-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (3,6-dichloro-2-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is O=C(c1nc(Cl)ccc1Cl)N1CC[C@H](O)C1.
What is the InChIKey of (3,6-dichloro-2-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is NENKMEJGGOPYQI-LURJTMIESA-N. The full InChI is InChI=1S/C10H10Cl2N2O2/c11-7-1-2-8(12)13-9(7)10(16)14-4-3-6(15)5-14/h1-2,6,15H,3-5H2/t6-/m0/s1.
What are the key properties of (3,6-dichloro-2-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
(3,6-dichloro-2-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 261.11 g/mol, XLogP of 1.60, 1 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)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 103723510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).