[5-[4-(difluoromethyl)phenoxy]-2-pyridinyl]-pyrimidin-5-ylmethanone

C17H11F2N3O2 — CID 123335144

IUPAC[5-[4-(difluoromethyl)phenoxy]-2-pyridinyl]-pyrimidin-5-ylmethanone
SMILESO=C(c1cncnc1)c1ccc(Oc2ccc(C(F)F)cc2)cn1
InChIInChI=1S/C17H11F2N3O2/c18-17(19)11-1-3-13(4-2-11)24-14-5-6-15(22-9-14)16(23)12-7-20-10-21-8-12/h1-10,17H
InChIKeySVQNRZKNQHTVEG-UHFFFAOYSA-N
MW327.29 g/mol
LogP3.83
Rot. Bonds5

About [5-[4-(difluoromethyl)phenoxy]-2-pyridinyl]-pyrimidin-5-ylmethanone

[5-[4-(difluoromethyl)phenoxy]-2-pyridinyl]-pyrimidin-5-ylmethanone (PubChem CID 123335144) has the molecular formula C17H11F2N3O2 and a molecular weight of 327.29 g/mol. Its IUPAC name is [5-[4-(difluoromethyl)phenoxy]-2-pyridinyl]-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name[5-[4-(difluoromethyl)phenoxy]-2-pyridinyl]-pyrimidin-5-ylmethanone
PubChem CID123335144
Molecular FormulaC17H11F2N3O2
Molecular Weight327.29 g/mol
Exact Mass327.08
IUPAC Name[5-[4-(difluoromethyl)phenoxy]-2-pyridinyl]-pyrimidin-5-ylmethanone
SMILESO=C(c1cncnc1)c1ccc(Oc2ccc(C(F)F)cc2)cn1
InChIInChI=1S/C17H11F2N3O2/c18-17(19)11-1-3-13(4-2-11)24-14-5-6-15(22-9-14)16(23)12-7-20-10-21-8-12/h1-10,17H
InChIKeySVQNRZKNQHTVEG-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(difluoromethyl)pyridin-2-yl]-3-fluoro-5-pyrimidin-5-yloxybenzamide
CID 69936867
N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]pyrimidine-4-carboxamide
CID 124156548
3-fluoro-5-pyrimidin-5-yloxy-N-[6-(trifluoromethyl)pyridin-2-yl]benzamide
CID 69936763
[4-Fluoro-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]piperidin-1-yl]-(2-pyrimidin-4-yl-3-pyridinyl)methanone
CID 163385649
4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl 3-(trifluoromethyl)benzenecarboxylate
CID 2767848
1-[3-(4-Methoxyphenyl)-4-(pyrimidin-4-ylmethoxy)phenyl]ethanone
CID 145979014
2-Pyridinyl[4-[[3-(5-pyrimidinyl)-2-pyrazinyl]oxy]phenyl]methanone
CID 59374342
3-fluoro-N-(4-methylpyrimidin-2-yl)-5-pyrimidin-5-yloxybenzamide
CID 69937130
6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[4-[6-(trifluoromethyl)pyridin-3-yl]oxyphenyl]pyrimidine-4-carboxamide
CID 71290062
US10308615, Example 60
CID 134539211
(2-Chloropyrimidin-4-yl)-(2,6-difluoro-4-methoxy-phenyl)methanone
CID 129908088
2-(N-methylanilino)-8-pyrimidin-5-ylpyrano[2,3-c]pyridin-4-one
CID 134809944

Frequently Asked Questions

What is the IUPAC name of [5-[4-(difluoromethyl)phenoxy]-2-pyridinyl]-pyrimidin-5-ylmethanone?
The IUPAC name of [5-[4-(difluoromethyl)phenoxy]-2-pyridinyl]-pyrimidin-5-ylmethanone (CID 123335144) is [5-[4-(difluoromethyl)phenoxy]-2-pyridinyl]-pyrimidin-5-ylmethanone.
What is the SMILES notation for [5-[4-(difluoromethyl)phenoxy]-2-pyridinyl]-pyrimidin-5-ylmethanone?
The canonical SMILES for [5-[4-(difluoromethyl)phenoxy]-2-pyridinyl]-pyrimidin-5-ylmethanone is O=C(c1cncnc1)c1ccc(Oc2ccc(C(F)F)cc2)cn1.
What is the InChIKey of [5-[4-(difluoromethyl)phenoxy]-2-pyridinyl]-pyrimidin-5-ylmethanone?
The InChIKey is SVQNRZKNQHTVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O2/c18-17(19)11-1-3-13(4-2-11)24-14-5-6-15(22-9-14)16(23)12-7-20-10-21-8-12/h1-10,17H.
What are the key properties of [5-[4-(difluoromethyl)phenoxy]-2-pyridinyl]-pyrimidin-5-ylmethanone?
[5-[4-(difluoromethyl)phenoxy]-2-pyridinyl]-pyrimidin-5-ylmethanone has a molecular weight of 327.29 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(difluoromethyl)phenoxy]-2-pyridinyl]-pyrimidin-5-ylmethanone is sourced from PubChem (CID 123335144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).