N-(5-fluoro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide

C11H13FN2O2 — CID 46318086

IUPACN-(5-fluoro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncc(F)cc1C=O
InChIInChI=1S/C11H13FN2O2/c1-11(2,3)10(16)14-9-7(6-15)4-8(12)5-13-9/h4-6H,1-3H3,(H,13,14,16)
InChIKeyDCHHGGYJXRRFGW-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.02
Rot. Bonds2

About N-(5-fluoro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide

N-(5-fluoro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide (PubChem CID 46318086) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is N-(5-fluoro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(5-fluoro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide
PubChem CID46318086
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC NameN-(5-fluoro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncc(F)cc1C=O
InChIInChI=1S/C11H13FN2O2/c1-11(2,3)10(16)14-9-7(6-15)4-8(12)5-13-9/h4-6H,1-3H3,(H,13,14,16)
InChIKeyDCHHGGYJXRRFGW-UHFFFAOYSA-N
XLogP2.02
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(5-fluoro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide (CID 46318086) is N-(5-fluoro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(5-fluoro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(5-fluoro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ncc(F)cc1C=O.
What is the InChIKey of N-(5-fluoro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide?
The InChIKey is DCHHGGYJXRRFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-11(2,3)10(16)14-9-7(6-15)4-8(12)5-13-9/h4-6H,1-3H3,(H,13,14,16).
What are the key properties of N-(5-fluoro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide?
N-(5-fluoro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide has a molecular weight of 224.23 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 46318086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).