N-(2-chloro-3-fluoro-4-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide

C12H14ClFN2O3 — CID 126839858

IUPACN-(2-chloro-3-fluoro-4-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide
SMILESO=C(COCC1CCCO1)Nc1ccnc(Cl)c1F
InChIInChI=1S/C12H14ClFN2O3/c13-12-11(14)9(3-4-15-12)16-10(17)7-18-6-8-2-1-5-19-8/h3-4,8H,1-2,5-7H2,(H,15,16,17)
InChIKeyRSBROOXWUHYUOD-UHFFFAOYSA-N
MW288.71 g/mol
LogP2.01
Rot. Bonds5

About N-(2-chloro-3-fluoro-4-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide

N-(2-chloro-3-fluoro-4-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide (PubChem CID 126839858) has the molecular formula C12H14ClFN2O3 and a molecular weight of 288.71 g/mol. Its IUPAC name is N-(2-chloro-3-fluoro-4-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-fluoro-4-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide
PubChem CID126839858
Molecular FormulaC12H14ClFN2O3
Molecular Weight288.71 g/mol
Exact Mass288.07
IUPAC NameN-(2-chloro-3-fluoro-4-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide
SMILESO=C(COCC1CCCO1)Nc1ccnc(Cl)c1F
InChIInChI=1S/C12H14ClFN2O3/c13-12-11(14)9(3-4-15-12)16-10(17)7-18-6-8-2-1-5-19-8/h3-4,8H,1-2,5-7H2,(H,15,16,17)
InChIKeyRSBROOXWUHYUOD-UHFFFAOYSA-N
XLogP2.01
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-fluoro-4-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide?
The IUPAC name of N-(2-chloro-3-fluoro-4-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide (CID 126839858) is N-(2-chloro-3-fluoro-4-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-(2-chloro-3-fluoro-4-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide?
The canonical SMILES for N-(2-chloro-3-fluoro-4-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide is O=C(COCC1CCCO1)Nc1ccnc(Cl)c1F.
What is the InChIKey of N-(2-chloro-3-fluoro-4-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide?
The InChIKey is RSBROOXWUHYUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O3/c13-12-11(14)9(3-4-15-12)16-10(17)7-18-6-8-2-1-5-19-8/h3-4,8H,1-2,5-7H2,(H,15,16,17).
What are the key properties of N-(2-chloro-3-fluoro-4-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide?
N-(2-chloro-3-fluoro-4-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide has a molecular weight of 288.71 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-fluoro-4-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide is sourced from PubChem (CID 126839858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).