(2,3-difluoro-4-pyridinyl)-pyrrolidin-1-ylmethanone

C10H10F2N2O — CID 105380117

IUPAC(2,3-difluoro-4-pyridinyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccnc(F)c1F)N1CCCC1
InChIInChI=1S/C10H10F2N2O/c11-8-7(3-4-13-9(8)12)10(15)14-5-1-2-6-14/h3-4H,1-2,5-6H2
InChIKeyHPSGAQYIZOJWGL-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.60
Rot. Bonds1

About (2,3-difluoro-4-pyridinyl)-pyrrolidin-1-ylmethanone

(2,3-difluoro-4-pyridinyl)-pyrrolidin-1-ylmethanone (PubChem CID 105380117) has the molecular formula C10H10F2N2O and a molecular weight of 212.20 g/mol. Its IUPAC name is (2,3-difluoro-4-pyridinyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2,3-difluoro-4-pyridinyl)-pyrrolidin-1-ylmethanone
PubChem CID105380117
Molecular FormulaC10H10F2N2O
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name(2,3-difluoro-4-pyridinyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccnc(F)c1F)N1CCCC1
InChIInChI=1S/C10H10F2N2O/c11-8-7(3-4-13-9(8)12)10(15)14-5-1-2-6-14/h3-4H,1-2,5-6H2
InChIKeyHPSGAQYIZOJWGL-UHFFFAOYSA-N
XLogP1.60
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,3-difluoro-4-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 105380406
(2,3-difluoro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313560
(2,3-difluoro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 105381176
N-[1-(2,3-difluoropyridine-4-carbonyl)piperidin-3-yl]acetamide
CID 105380881
ethyl 1-(2,3-difluoropyridine-4-carbonyl)piperidine-4-carboxylate
CID 105380316
(2,3-difluoro-4-pyridinyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 105380192
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2,3-difluoro-4-pyridinyl)methanone
CID 105381490
(2-amino-3-fluoro-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 105386193
methyl 1-(2,3-difluoropyridine-4-carbonyl)-4-methylpyrrolidine-3-carboxylate
CID 105381419
azepan-1-yl-(3-chloro-2-fluorophenyl)methanone
CID 80949460
azetidin-1-yl-(2,3-dichloro-4-pyridinyl)methanone
CID 154067402
(2-fluoro-3-iodophenyl)-pyrrolidin-1-ylmethanone
CID 164895955

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-pyridinyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2,3-difluoro-4-pyridinyl)-pyrrolidin-1-ylmethanone (CID 105380117) is (2,3-difluoro-4-pyridinyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2,3-difluoro-4-pyridinyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2,3-difluoro-4-pyridinyl)-pyrrolidin-1-ylmethanone is O=C(c1ccnc(F)c1F)N1CCCC1.
What is the InChIKey of (2,3-difluoro-4-pyridinyl)-pyrrolidin-1-ylmethanone?
The InChIKey is HPSGAQYIZOJWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O/c11-8-7(3-4-13-9(8)12)10(15)14-5-1-2-6-14/h3-4H,1-2,5-6H2.
What are the key properties of (2,3-difluoro-4-pyridinyl)-pyrrolidin-1-ylmethanone?
(2,3-difluoro-4-pyridinyl)-pyrrolidin-1-ylmethanone has a molecular weight of 212.20 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-pyridinyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 105380117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).