3-(5-fluoro-2-pyridinyl)-3-(2-hydroxyethoxy)propanamide

C10H13FN2O3 — CID 91180456

IUPAC3-(5-fluoro-2-pyridinyl)-3-(2-hydroxyethoxy)propanamide
SMILESNC(=O)CC(OCCO)c1ccc(F)cn1
InChIInChI=1S/C10H13FN2O3/c11-7-1-2-8(13-6-7)9(5-10(12)15)16-4-3-14/h1-2,6,9,14H,3-5H2,(H2,12,15)
InChIKeyQEFYIHNDAGWQQQ-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.15
Rot. Bonds6

About 3-(5-fluoro-2-pyridinyl)-3-(2-hydroxyethoxy)propanamide

3-(5-fluoro-2-pyridinyl)-3-(2-hydroxyethoxy)propanamide (PubChem CID 91180456) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-3-(2-hydroxyethoxy)propanamide.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-3-(2-hydroxyethoxy)propanamide
PubChem CID91180456
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name3-(5-fluoro-2-pyridinyl)-3-(2-hydroxyethoxy)propanamide
SMILESNC(=O)CC(OCCO)c1ccc(F)cn1
InChIInChI=1S/C10H13FN2O3/c11-7-1-2-8(13-6-7)9(5-10(12)15)16-4-3-14/h1-2,6,9,14H,3-5H2,(H2,12,15)
InChIKeyQEFYIHNDAGWQQQ-UHFFFAOYSA-N
XLogP0.15
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-3-(2-hydroxyethoxy)propanamide?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-3-(2-hydroxyethoxy)propanamide (CID 91180456) is 3-(5-fluoro-2-pyridinyl)-3-(2-hydroxyethoxy)propanamide.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-3-(2-hydroxyethoxy)propanamide?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-3-(2-hydroxyethoxy)propanamide is NC(=O)CC(OCCO)c1ccc(F)cn1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-3-(2-hydroxyethoxy)propanamide?
The InChIKey is QEFYIHNDAGWQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c11-7-1-2-8(13-6-7)9(5-10(12)15)16-4-3-14/h1-2,6,9,14H,3-5H2,(H2,12,15).
What are the key properties of 3-(5-fluoro-2-pyridinyl)-3-(2-hydroxyethoxy)propanamide?
3-(5-fluoro-2-pyridinyl)-3-(2-hydroxyethoxy)propanamide has a molecular weight of 228.22 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-3-(2-hydroxyethoxy)propanamide is sourced from PubChem (CID 91180456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).