5-bromo-N-(2,2-difluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide

C10H11BrF2N2O2 — CID 165416878

IUPAC5-bromo-N-(2,2-difluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide
SMILESCCn1cc(Br)cc(C(=O)NCC(F)F)c1=O
InChIInChI=1S/C10H11BrF2N2O2/c1-2-15-5-6(11)3-7(10(15)17)9(16)14-4-8(12)13/h3,5,8H,2,4H2,1H3,(H,14,16)
InChIKeyNYOOSLMBNNWTCL-UHFFFAOYSA-N
MW309.11 g/mol
LogP1.63
Rot. Bonds4

About 5-bromo-N-(2,2-difluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide

5-bromo-N-(2,2-difluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide (PubChem CID 165416878) has the molecular formula C10H11BrF2N2O2 and a molecular weight of 309.11 g/mol. Its IUPAC name is 5-bromo-N-(2,2-difluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,2-difluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide
PubChem CID165416878
Molecular FormulaC10H11BrF2N2O2
Molecular Weight309.11 g/mol
Exact Mass308.00
IUPAC Name5-bromo-N-(2,2-difluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide
SMILESCCn1cc(Br)cc(C(=O)NCC(F)F)c1=O
InChIInChI=1S/C10H11BrF2N2O2/c1-2-15-5-6(11)3-7(10(15)17)9(16)14-4-8(12)13/h3,5,8H,2,4H2,1H3,(H,14,16)
InChIKeyNYOOSLMBNNWTCL-UHFFFAOYSA-N
XLogP1.63
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-difluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2,2-difluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide (CID 165416878) is 5-bromo-N-(2,2-difluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,2-difluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2,2-difluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide is CCn1cc(Br)cc(C(=O)NCC(F)F)c1=O.
What is the InChIKey of 5-bromo-N-(2,2-difluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide?
The InChIKey is NYOOSLMBNNWTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2O2/c1-2-15-5-6(11)3-7(10(15)17)9(16)14-4-8(12)13/h3,5,8H,2,4H2,1H3,(H,14,16).
What are the key properties of 5-bromo-N-(2,2-difluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide?
5-bromo-N-(2,2-difluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide has a molecular weight of 309.11 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-difluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 165416878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).