N-(5-bromo-3-fluoro-2-pyridinyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide

C13H16BrFN2O3 — CID 97076336

IUPACN-(5-bromo-3-fluoro-2-pyridinyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide
SMILESO=C(CCOC[C@@H]1CCCO1)Nc1ncc(Br)cc1F
InChIInChI=1S/C13H16BrFN2O3/c14-9-6-11(15)13(16-7-9)17-12(18)3-5-19-8-10-2-1-4-20-10/h6-7,10H,1-5,8H2,(H,16,17,18)/t10-/m0/s1
InChIKeyFPMMNMANYPVYHT-JTQLQIEISA-N
MW347.18 g/mol
LogP2.51
Rot. Bonds6

About N-(5-bromo-3-fluoro-2-pyridinyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide

N-(5-bromo-3-fluoro-2-pyridinyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide (PubChem CID 97076336) has the molecular formula C13H16BrFN2O3 and a molecular weight of 347.18 g/mol. Its IUPAC name is N-(5-bromo-3-fluoro-2-pyridinyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide.

Molecular Properties

Compound NameN-(5-bromo-3-fluoro-2-pyridinyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide
PubChem CID97076336
Molecular FormulaC13H16BrFN2O3
Molecular Weight347.18 g/mol
Exact Mass346.03
IUPAC NameN-(5-bromo-3-fluoro-2-pyridinyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide
SMILESO=C(CCOC[C@@H]1CCCO1)Nc1ncc(Br)cc1F
InChIInChI=1S/C13H16BrFN2O3/c14-9-6-11(15)13(16-7-9)17-12(18)3-5-19-8-10-2-1-4-20-10/h6-7,10H,1-5,8H2,(H,16,17,18)/t10-/m0/s1
InChIKeyFPMMNMANYPVYHT-JTQLQIEISA-N
XLogP2.51
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-fluoro-2-pyridinyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide?
The IUPAC name of N-(5-bromo-3-fluoro-2-pyridinyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide (CID 97076336) is N-(5-bromo-3-fluoro-2-pyridinyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide.
What is the SMILES notation for N-(5-bromo-3-fluoro-2-pyridinyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide?
The canonical SMILES for N-(5-bromo-3-fluoro-2-pyridinyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide is O=C(CCOC[C@@H]1CCCO1)Nc1ncc(Br)cc1F.
What is the InChIKey of N-(5-bromo-3-fluoro-2-pyridinyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide?
The InChIKey is FPMMNMANYPVYHT-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16BrFN2O3/c14-9-6-11(15)13(16-7-9)17-12(18)3-5-19-8-10-2-1-4-20-10/h6-7,10H,1-5,8H2,(H,16,17,18)/t10-/m0/s1.
What are the key properties of N-(5-bromo-3-fluoro-2-pyridinyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide?
N-(5-bromo-3-fluoro-2-pyridinyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide has a molecular weight of 347.18 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-fluoro-2-pyridinyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide is sourced from PubChem (CID 97076336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).