2-(6-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone

C17H11F2N3O2 — CID 58318837

IUPAC2-(6-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
SMILESO=C(Cc1cccc(F)n1)c1cc(F)cc(Oc2cncnc2)c1
InChIInChI=1S/C17H11F2N3O2/c18-12-4-11(16(23)7-13-2-1-3-17(19)22-13)5-14(6-12)24-15-8-20-10-21-9-15/h1-6,8-10H,7H2
InChIKeyGFJLQEGVFWYQRM-UHFFFAOYSA-N
MW327.29 g/mol
LogP3.37
Rot. Bonds5

About 2-(6-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone

2-(6-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone (PubChem CID 58318837) has the molecular formula C17H11F2N3O2 and a molecular weight of 327.29 g/mol. Its IUPAC name is 2-(6-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone.

Molecular Properties

Compound Name2-(6-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
PubChem CID58318837
Molecular FormulaC17H11F2N3O2
Molecular Weight327.29 g/mol
Exact Mass327.08
IUPAC Name2-(6-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
SMILESO=C(Cc1cccc(F)n1)c1cc(F)cc(Oc2cncnc2)c1
InChIInChI=1S/C17H11F2N3O2/c18-12-4-11(16(23)7-13-2-1-3-17(19)22-13)5-14(6-12)24-15-8-20-10-21-9-15/h1-6,8-10H,7H2
InChIKeyGFJLQEGVFWYQRM-UHFFFAOYSA-N
XLogP3.37
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(6-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 58318859
1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-fluoro-2-pyridinyl)ethanone
CID 147632074
1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]ethanone
CID 58318884
2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-[6-(1-fluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-pyridin-2-yl-1-(3-pyridin-3-yloxyphenyl)ethanone
CID 157377899
1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;tris(1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone)
CID 158496788
1-[6-[(5-chloro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-fluoro-2-pyridinyl)ethanone
CID 147454939
1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone
CID 123892434
2-(5-fluoro-6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349276
1-(5-fluoro-3-pyridinyl)-2-quinolin-2-ylethanone
CID 105108919
bis(1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 162083708
2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-ethynyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanone
CID 159938840
N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide
CID 123377102

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?
The IUPAC name of 2-(6-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone (CID 58318837) is 2-(6-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone.
What is the SMILES notation for 2-(6-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?
The canonical SMILES for 2-(6-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone is O=C(Cc1cccc(F)n1)c1cc(F)cc(Oc2cncnc2)c1.
What is the InChIKey of 2-(6-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?
The InChIKey is GFJLQEGVFWYQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O2/c18-12-4-11(16(23)7-13-2-1-3-17(19)22-13)5-14(6-12)24-15-8-20-10-21-9-15/h1-6,8-10H,7H2.
What are the key properties of 2-(6-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?
2-(6-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone has a molecular weight of 327.29 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone is sourced from PubChem (CID 58318837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).