2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylpropanamide

C9H10ClFN2O2 — CID 158559506

IUPAC2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylpropanamide
SMILESCC(C)(Oc1ncc(Cl)cc1F)C(N)=O
InChIInChI=1S/C9H10ClFN2O2/c1-9(2,8(12)14)15-7-6(11)3-5(10)4-13-7/h3-4H,1-2H3,(H2,12,14)
InChIKeyHQRYHACQANTDJF-UHFFFAOYSA-N
MW232.64 g/mol
LogP1.52
Rot. Bonds3

About 2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylpropanamide

2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylpropanamide (PubChem CID 158559506) has the molecular formula C9H10ClFN2O2 and a molecular weight of 232.64 g/mol. Its IUPAC name is 2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylpropanamide
PubChem CID158559506
Molecular FormulaC9H10ClFN2O2
Molecular Weight232.64 g/mol
Exact Mass232.04
IUPAC Name2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylpropanamide
SMILESCC(C)(Oc1ncc(Cl)cc1F)C(N)=O
InChIInChI=1S/C9H10ClFN2O2/c1-9(2,8(12)14)15-7-6(11)3-5(10)4-13-7/h3-4H,1-2H3,(H2,12,14)
InChIKeyHQRYHACQANTDJF-UHFFFAOYSA-N
XLogP1.52
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylpropanamide?
The IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylpropanamide (CID 158559506) is 2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylpropanamide.
What is the SMILES notation for 2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylpropanamide?
The canonical SMILES for 2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylpropanamide is CC(C)(Oc1ncc(Cl)cc1F)C(N)=O.
What is the InChIKey of 2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylpropanamide?
The InChIKey is HQRYHACQANTDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O2/c1-9(2,8(12)14)15-7-6(11)3-5(10)4-13-7/h3-4H,1-2H3,(H2,12,14).
What are the key properties of 2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylpropanamide?
2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylpropanamide has a molecular weight of 232.64 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylpropanamide is sourced from PubChem (CID 158559506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).