N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide;pyrrolidine

C12H16F3N3O2 — CID 153398195

IUPACN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide;pyrrolidine
SMILESC1CCNC1.O=CNc1cc(F)c(=O)n(CC(F)F)c1
InChIInChI=1S/C8H7F3N2O2.C4H9N/c9-6-1-5(12-4-14)2-13(8(6)15)3-7(10)11;1-2-4-5-3-1/h1-2,4,7H,3H2,(H,12,14);5H,1-4H2
InChIKeyROWRXSGCHXDKLS-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.19
Rot. Bonds4

About N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide;pyrrolidine

N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide;pyrrolidine (PubChem CID 153398195) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide;pyrrolidine.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide;pyrrolidine
PubChem CID153398195
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC NameN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide;pyrrolidine
SMILESC1CCNC1.O=CNc1cc(F)c(=O)n(CC(F)F)c1
InChIInChI=1S/C8H7F3N2O2.C4H9N/c9-6-1-5(12-4-14)2-13(8(6)15)3-7(10)11;1-2-4-5-3-1/h1-2,4,7H,3H2,(H,12,14);5H,1-4H2
InChIKeyROWRXSGCHXDKLS-UHFFFAOYSA-N
XLogP1.19
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]pyrrolidine-1-carboxamide
CID 146323238
N-(1,4-dimethyl-6-oxo-3-pyridinyl)formamide;3-(trifluoromethyl)pyrrolidine
CID 153398096
1-[4-(Propan-2-ylamino)butyl]-6-(trifluoromethyl)pyridin-2-one
CID 81318692
1-[4-(Ethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one
CID 81319039
1-[4-(Propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one
CID 81319173
1-(Pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-one
CID 81319873
1-(3-Pyrrolidin-2-ylpropyl)-6-(trifluoromethyl)pyridin-2-one
CID 81320207
2,2,2-trifluoro-N-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]acetamide
CID 84279704
5-(1,1-Difluoropropan-2-ylamino)-1-propylpyridin-2-one
CID 102869142
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide
CID 153397925
N-[1-(2,2-difluoroethyl)-5-methyl-6-oxo-3-pyridinyl]formamide
CID 153398186

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide;pyrrolidine?
The IUPAC name of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide;pyrrolidine (CID 153398195) is N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide;pyrrolidine.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide;pyrrolidine?
The canonical SMILES for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide;pyrrolidine is C1CCNC1.O=CNc1cc(F)c(=O)n(CC(F)F)c1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide;pyrrolidine?
The InChIKey is ROWRXSGCHXDKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2.C4H9N/c9-6-1-5(12-4-14)2-13(8(6)15)3-7(10)11;1-2-4-5-3-1/h1-2,4,7H,3H2,(H,12,14);5H,1-4H2.
What are the key properties of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide;pyrrolidine?
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide;pyrrolidine has a molecular weight of 291.27 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide;pyrrolidine is sourced from PubChem (CID 153398195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).