(2,5-dichloro-4-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone

C10H10Cl2N2O3 — CID 106668644

IUPAC(2,5-dichloro-4-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1cc(Cl)ncc1Cl)N1CC(O)C(O)C1
InChIInChI=1S/C10H10Cl2N2O3/c11-6-2-13-9(12)1-5(6)10(17)14-3-7(15)8(16)4-14/h1-2,7-8,15-16H,3-4H2
InChIKeyHVAMXDHQTIMHDK-UHFFFAOYSA-N
MW277.11 g/mol
LogP0.57
Rot. Bonds1

About (2,5-dichloro-4-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone

(2,5-dichloro-4-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone (PubChem CID 106668644) has the molecular formula C10H10Cl2N2O3 and a molecular weight of 277.11 g/mol. Its IUPAC name is (2,5-dichloro-4-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dichloro-4-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
PubChem CID106668644
Molecular FormulaC10H10Cl2N2O3
Molecular Weight277.11 g/mol
Exact Mass276.01
IUPAC Name(2,5-dichloro-4-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1cc(Cl)ncc1Cl)N1CC(O)C(O)C1
InChIInChI=1S/C10H10Cl2N2O3/c11-6-2-13-9(12)1-5(6)10(17)14-3-7(15)8(16)4-14/h1-2,7-8,15-16H,3-4H2
InChIKeyHVAMXDHQTIMHDK-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

(2,5-dichloro-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 114917004
(2,5-dichloro-4-pyridinyl)-(4-fluoropiperidin-1-yl)methanone
CID 172648288
(2,5-dichloro-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172648286
(2,5-dichloro-4-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 114918451
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2,5-dichloro-4-pyridinyl)methanone
CID 114917996
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(2,5-dichloro-4-pyridinyl)methanone
CID 114918468
(2,5-dichloro-4-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 114918341
2-(2,5-dichloropyridine-4-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 114918779
(2,5-dichloro-4-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 114918455
4-(2,5-dichloropyridine-4-carbonyl)-1-methylpiperazin-2-one
CID 114918581
(2-chloro-4-pyridinyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 103857585
(2,5-dichloro-4-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone
CID 114917342

Frequently Asked Questions

What is the IUPAC name of (2,5-dichloro-4-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (2,5-dichloro-4-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone (CID 106668644) is (2,5-dichloro-4-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (2,5-dichloro-4-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (2,5-dichloro-4-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone is O=C(c1cc(Cl)ncc1Cl)N1CC(O)C(O)C1.
What is the InChIKey of (2,5-dichloro-4-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The InChIKey is HVAMXDHQTIMHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O3/c11-6-2-13-9(12)1-5(6)10(17)14-3-7(15)8(16)4-14/h1-2,7-8,15-16H,3-4H2.
What are the key properties of (2,5-dichloro-4-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
(2,5-dichloro-4-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 (2,5-dichloro-4-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 106668644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).