(2,6-dichloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone

C10H10Cl2N2O3 — CID 106994520

IUPAC(2,6-dichloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)nc1Cl)N1CC(O)C(O)C1
InChIInChI=1S/C10H10Cl2N2O3/c11-8-2-1-5(9(12)13-8)10(17)14-3-6(15)7(16)4-14/h1-2,6-7,15-16H,3-4H2
InChIKeyMOXGVYDEPDTKAK-UHFFFAOYSA-N
MW277.11 g/mol
LogP0.57
Rot. Bonds1

About (2,6-dichloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone

(2,6-dichloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone (PubChem CID 106994520) has the molecular formula C10H10Cl2N2O3 and a molecular weight of 277.11 g/mol. Its IUPAC name is (2,6-dichloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2,6-dichloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
PubChem CID106994520
Molecular FormulaC10H10Cl2N2O3
Molecular Weight277.11 g/mol
Exact Mass276.01
IUPAC Name(2,6-dichloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)nc1Cl)N1CC(O)C(O)C1
InChIInChI=1S/C10H10Cl2N2O3/c11-8-2-1-5(9(12)13-8)10(17)14-3-6(15)7(16)4-14/h1-2,6-7,15-16H,3-4H2
InChIKeyMOXGVYDEPDTKAK-UHFFFAOYSA-N
XLogP0.57
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-cyclopropylpiperazin-1-yl)-(2,6-dichloro-3-pyridinyl)methanone
CID 106993357
(2-chloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668646
(2R,4R)-1-(2,6-dichloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114036820
(2,6-dichloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 113228669
(2,6-dichloro-3-pyridinyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 106993823
(2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671362
(2,6-dichloro-3-pyridinyl)-(2,5-dimethylpiperidin-1-yl)methanone
CID 103714430
(2,6-dichloro-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 106993810
(6-chloro-2-methyl-3-pyridinyl)-[3-(4-fluorophenyl)azetidin-1-yl]methanone
CID 167809516
(2,5-dichloro-4-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668644
(4-chloro-2-methylphenyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 113351170
2,6-dichloropyridine-3-carboxamide
CID 22142778

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (2,6-dichloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone (CID 106994520) is (2,6-dichloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (2,6-dichloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (2,6-dichloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone is O=C(c1ccc(Cl)nc1Cl)N1CC(O)C(O)C1.
What is the InChIKey of (2,6-dichloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The InChIKey is MOXGVYDEPDTKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O3/c11-8-2-1-5(9(12)13-8)10(17)14-3-6(15)7(16)4-14/h1-2,6-7,15-16H,3-4H2.
What are the key properties of (2,6-dichloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
(2,6-dichloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone has a molecular weight of 277.11 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 106994520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).