5-[5-(2-amino-5-fluoro-4-pyridinyl)-2-fluorophenoxy]pentan-2-one

C16H16F2N2O2 — CID 135346590

IUPAC5-[5-(2-amino-5-fluoro-4-pyridinyl)-2-fluorophenoxy]pentan-2-one
SMILESCC(=O)CCCOc1cc(-c2cc(N)ncc2F)ccc1F
InChIInChI=1S/C16H16F2N2O2/c1-10(21)3-2-6-22-15-7-11(4-5-13(15)17)12-8-16(19)20-9-14(12)18/h4-5,7-9H,2-3,6H2,1H3,(H2,19,20)
InChIKeyDHEOWWBEBMOXEH-UHFFFAOYSA-N
MW306.31 g/mol
LogP3.36
Rot. Bonds6

About 5-[5-(2-amino-5-fluoro-4-pyridinyl)-2-fluorophenoxy]pentan-2-one

5-[5-(2-amino-5-fluoro-4-pyridinyl)-2-fluorophenoxy]pentan-2-one (PubChem CID 135346590) has the molecular formula C16H16F2N2O2 and a molecular weight of 306.31 g/mol. Its IUPAC name is 5-[5-(2-amino-5-fluoro-4-pyridinyl)-2-fluorophenoxy]pentan-2-one.

Molecular Properties

Compound Name5-[5-(2-amino-5-fluoro-4-pyridinyl)-2-fluorophenoxy]pentan-2-one
PubChem CID135346590
Molecular FormulaC16H16F2N2O2
Molecular Weight306.31 g/mol
Exact Mass306.12
IUPAC Name5-[5-(2-amino-5-fluoro-4-pyridinyl)-2-fluorophenoxy]pentan-2-one
SMILESCC(=O)CCCOc1cc(-c2cc(N)ncc2F)ccc1F
InChIInChI=1S/C16H16F2N2O2/c1-10(21)3-2-6-22-15-7-11(4-5-13(15)17)12-8-16(19)20-9-14(12)18/h4-5,7-9H,2-3,6H2,1H3,(H2,19,20)
InChIKeyDHEOWWBEBMOXEH-UHFFFAOYSA-N
XLogP3.36
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 53.36
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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Related Compounds

tert-butyl N-[[2-[4-[5-(2-amino-5-fluoro-4-pyridinyl)-2-fluorophenoxy]butoxy]-6-chloro-4-pyridinyl]methyl-methyl-oxo-λ6-sulfanylidene]carbamate
CID 142438638
5-(5-bromo-2,3-difluorophenoxy)pentan-2-one
CID 107100400
2-(3-butoxy-4-fluorophenyl)benzene-1,3-dicarboxamide
CID 150291896
5-(4-fluoro-2-methylphenoxy)pentan-2-one
CID 59148010
4-(2-fluorophenoxy)butan-2-one
CID 28948853
4-(2-fluoro-5-propan-2-ylphenoxy)butanoic acid
CID 59134643
5-(2-chloro-4-phenylphenoxy)pentan-2-one
CID 62029499
4-[5-(2-amino-6-chloroquinazolin-4-yl)-2-methoxyphenoxy]butanoic acid
CID 15947131
2-amino-5-(3-fluoro-4-methylphenyl)pyridine-4-carboxylic acid
CID 53222855
3-fluoro-4-(5-oxohexoxy)benzonitrile
CID 104891719
ethyl 6-(2-fluoro-5-methylphenoxy)hexanoate
CID 64855551
5-(4-fluoro-2-nitrophenoxy)pentan-2-one
CID 62369027

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-amino-5-fluoro-4-pyridinyl)-2-fluorophenoxy]pentan-2-one?
The IUPAC name of 5-[5-(2-amino-5-fluoro-4-pyridinyl)-2-fluorophenoxy]pentan-2-one (CID 135346590) is 5-[5-(2-amino-5-fluoro-4-pyridinyl)-2-fluorophenoxy]pentan-2-one.
What is the SMILES notation for 5-[5-(2-amino-5-fluoro-4-pyridinyl)-2-fluorophenoxy]pentan-2-one?
The canonical SMILES for 5-[5-(2-amino-5-fluoro-4-pyridinyl)-2-fluorophenoxy]pentan-2-one is CC(=O)CCCOc1cc(-c2cc(N)ncc2F)ccc1F.
What is the InChIKey of 5-[5-(2-amino-5-fluoro-4-pyridinyl)-2-fluorophenoxy]pentan-2-one?
The InChIKey is DHEOWWBEBMOXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2/c1-10(21)3-2-6-22-15-7-11(4-5-13(15)17)12-8-16(19)20-9-14(12)18/h4-5,7-9H,2-3,6H2,1H3,(H2,19,20).
What are the key properties of 5-[5-(2-amino-5-fluoro-4-pyridinyl)-2-fluorophenoxy]pentan-2-one?
5-[5-(2-amino-5-fluoro-4-pyridinyl)-2-fluorophenoxy]pentan-2-one has a molecular weight of 306.31 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-amino-5-fluoro-4-pyridinyl)-2-fluorophenoxy]pentan-2-one is sourced from PubChem (CID 135346590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).