(2-chloro-4-pyridinyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone

C10H11ClN2O3 — CID 103857585

IUPAC(2-chloro-4-pyridinyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1ccnc(Cl)c1)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H11ClN2O3/c11-9-3-6(1-2-12-9)10(16)13-4-7(14)8(15)5-13/h1-3,7-8,14-15H,4-5H2/t7-,8+
InChIKeyADCIIUOFSBMIHF-OCAPTIKFSA-N
MW242.66 g/mol
LogP-0.09
Rot. Bonds1

About (2-chloro-4-pyridinyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone

(2-chloro-4-pyridinyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone (PubChem CID 103857585) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is (2-chloro-4-pyridinyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-pyridinyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
PubChem CID103857585
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name(2-chloro-4-pyridinyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1ccnc(Cl)c1)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H11ClN2O3/c11-9-3-6(1-2-12-9)10(16)13-4-7(14)8(15)5-13/h1-3,7-8,14-15H,4-5H2/t7-,8+
InChIKeyADCIIUOFSBMIHF-OCAPTIKFSA-N
XLogP-0.09
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 5-0.09
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

azetidin-1-yl-(2-chloro-4-pyridinyl)methanone
CID 58113908
(2-chloro-4-pyridinyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 89194471
(2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63091284
(4-tert-butylpiperazin-1-yl)-(2-chloro-4-pyridinyl)methanone
CID 61073425
1-(2-chloropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 47124151
(3-bromo-4-chlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 107989730
(2,5-dichloro-4-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668644
1-(2-chloro-4-pyridinyl)pyrrolidine-3,4-diol
CID 106670872
(2-chloro-4-pyridinyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66056211
4-tert-butyl-1-(2-chloropyridine-4-carbonyl)pyrrolidin-2-one
CID 104511754
2-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 107526554
(2-chloro-4-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 63657797

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-pyridinyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (2-chloro-4-pyridinyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone (CID 103857585) is (2-chloro-4-pyridinyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-pyridinyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-pyridinyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone is O=C(c1ccnc(Cl)c1)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (2-chloro-4-pyridinyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone?
The InChIKey is ADCIIUOFSBMIHF-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c11-9-3-6(1-2-12-9)10(16)13-4-7(14)8(15)5-13/h1-3,7-8,14-15H,4-5H2/t7-,8+.
What are the key properties of (2-chloro-4-pyridinyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone?
(2-chloro-4-pyridinyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone has a molecular weight of 242.66 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-pyridinyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 103857585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).