(2,3-difluoro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone

C10H10F2N2O2 — CID 105381176

IUPAC(2,3-difluoro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccnc(F)c1F)N1CCC(O)C1
InChIInChI=1S/C10H10F2N2O2/c11-8-7(1-3-13-9(8)12)10(16)14-4-2-6(15)5-14/h1,3,6,15H,2,4-5H2
InChIKeyXYGFJFKEFIYOBD-UHFFFAOYSA-N
MW228.20 g/mol
LogP0.57
Rot. Bonds1

About (2,3-difluoro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone

(2,3-difluoro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 105381176) has the molecular formula C10H10F2N2O2 and a molecular weight of 228.20 g/mol. Its IUPAC name is (2,3-difluoro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-difluoro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID105381176
Molecular FormulaC10H10F2N2O2
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name(2,3-difluoro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccnc(F)c1F)N1CCC(O)C1
InChIInChI=1S/C10H10F2N2O2/c11-8-7(1-3-13-9(8)12)10(16)14-4-2-6(15)5-14/h1,3,6,15H,2,4-5H2
InChIKeyXYGFJFKEFIYOBD-UHFFFAOYSA-N
XLogP0.57
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 50.57
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

(2,3-difluoro-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 105380117
[3-fluoro-2-(propylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 105386116
(3-fluoro-4-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291522
N-[1-(2,3-difluoropyridine-4-carbonyl)piperidin-3-yl]acetamide
CID 105380881
(2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 81481180
(3-fluoro-2-hydrazinyl-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 105388111
ethyl 1-(2,3-difluoropyridine-4-carbonyl)piperidine-4-carboxylate
CID 105380316
(2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916558
(2,3-difluoro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313560
(6-fluoro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103719238
(2,3-difluoro-4-pyridinyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 105380192
(2,3-difluoro-4-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 105380406

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (2,3-difluoro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone (CID 105381176) is (2,3-difluoro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (2,3-difluoro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (2,3-difluoro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone is O=C(c1ccnc(F)c1F)N1CCC(O)C1.
What is the InChIKey of (2,3-difluoro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is XYGFJFKEFIYOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O2/c11-8-7(1-3-13-9(8)12)10(16)14-4-2-6(15)5-14/h1,3,6,15H,2,4-5H2.
What are the key properties of (2,3-difluoro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone?
(2,3-difluoro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 228.20 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 105381176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).