2-(6-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone

C16H11FN4O2 — CID 58349243

IUPAC2-(6-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
SMILESO=C(Cc1cccc(F)n1)c1cc(Oc2cncnc2)ccn1
InChIInChI=1S/C16H11FN4O2/c17-16-3-1-2-11(21-16)6-15(22)14-7-12(4-5-20-14)23-13-8-18-10-19-9-13/h1-5,7-10H,6H2
InChIKeyKDJTZKUARIUNNZ-UHFFFAOYSA-N
MW310.29 g/mol
LogP2.62
Rot. Bonds5

About 2-(6-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone

2-(6-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone (PubChem CID 58349243) has the molecular formula C16H11FN4O2 and a molecular weight of 310.29 g/mol. Its IUPAC name is 2-(6-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(6-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
PubChem CID58349243
Molecular FormulaC16H11FN4O2
Molecular Weight310.29 g/mol
Exact Mass310.09
IUPAC Name2-(6-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
SMILESO=C(Cc1cccc(F)n1)c1cc(Oc2cncnc2)ccn1
InChIInChI=1S/C16H11FN4O2/c17-16-3-1-2-11(21-16)6-15(22)14-7-12(4-5-20-14)23-13-8-18-10-19-9-13/h1-5,7-10H,6H2
InChIKeyKDJTZKUARIUNNZ-UHFFFAOYSA-N
XLogP2.62
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Auglurant
CID 60168069
2-PyridinecarboxaMide, N-(5-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-Methyl-
CID 60197821
6-methyl-N-(6-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197614
N-(4-fluoro-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197712
N-(6-fluoro-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197713
N-(5-fluoro-2-pyridinyl)-6-methyl-4-(2-methylpyrimidin-5-yl)oxypyridine-2-carboxamide
CID 60197716
4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 60197822
N-(4-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
CID 60197823
N-(6-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
CID 60197825
N-(6-ethyl-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197937
N-(6-ethyl-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
CID 60198043
N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(6-methyl-3-pyridinyl)oxy]pyridine-2-carboxamide
CID 60198048

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The IUPAC name of 2-(6-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone (CID 58349243) is 2-(6-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(6-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The canonical SMILES for 2-(6-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone is O=C(Cc1cccc(F)n1)c1cc(Oc2cncnc2)ccn1.
What is the InChIKey of 2-(6-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The InChIKey is KDJTZKUARIUNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O2/c17-16-3-1-2-11(21-16)6-15(22)14-7-12(4-5-20-14)23-13-8-18-10-19-9-13/h1-5,7-10H,6H2.
What are the key properties of 2-(6-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
2-(6-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone has a molecular weight of 310.29 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone is sourced from PubChem (CID 58349243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).