(5-fluoro-2-hydroxyphenyl)-pyrimidin-2-ylmethanone

C11H7FN2O2 — CID 105471940

IUPAC(5-fluoro-2-hydroxyphenyl)-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)c1cc(F)ccc1O
InChIInChI=1S/C11H7FN2O2/c12-7-2-3-9(15)8(6-7)10(16)11-13-4-1-5-14-11/h1-6,15H
InChIKeyXOFBYBHPFSXAFX-UHFFFAOYSA-N
MW218.19 g/mol
LogP1.55
Rot. Bonds2

About (5-fluoro-2-hydroxyphenyl)-pyrimidin-2-ylmethanone

(5-fluoro-2-hydroxyphenyl)-pyrimidin-2-ylmethanone (PubChem CID 105471940) has the molecular formula C11H7FN2O2 and a molecular weight of 218.19 g/mol. Its IUPAC name is (5-fluoro-2-hydroxyphenyl)-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name(5-fluoro-2-hydroxyphenyl)-pyrimidin-2-ylmethanone
PubChem CID105471940
Molecular FormulaC11H7FN2O2
Molecular Weight218.19 g/mol
Exact Mass218.05
IUPAC Name(5-fluoro-2-hydroxyphenyl)-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)c1cc(F)ccc1O
InChIInChI=1S/C11H7FN2O2/c12-7-2-3-9(15)8(6-7)10(16)11-13-4-1-5-14-11/h1-6,15H
InChIKeyXOFBYBHPFSXAFX-UHFFFAOYSA-N
XLogP1.55
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

acetyl 5-fluoro-2-hydroxybenzoate
CID 174322900
(4-aminophenyl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 95425026
4-(5-fluoro-2-hydroxybenzoyl)benzamide
CID 142582973
(5-fluoro-2-hydroxyphenyl)-(2-nitrophenyl)methanone
CID 71386459
5-fluoro-2-pyridin-2-ylsulfanylbenzoic acid
CID 63674183
(5-fluoro-2-hydroxyphenyl)-(4-methoxyphenyl)methanone
CID 10354543
bis(4-fluoro-2-hydroxyphenyl)methanone
CID 125469613
1-(5-fluoro-2-pyrimidin-2-ylphenyl)ethanone
CID 90250687
cyclopropyl-(5-fluoro-2-hydroxyphenyl)methanone
CID 62379019
(2,4-difluorophenyl)-(2-hydroxyphenyl)methanone
CID 11310853
2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(5-fluoro-2-hydroxyphenyl)methanone
CID 8834709
5-fluoro-2-hydroxy-N-methyl-N-pyridin-4-ylbenzamide
CID 106936071

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-hydroxyphenyl)-pyrimidin-2-ylmethanone?
The IUPAC name of (5-fluoro-2-hydroxyphenyl)-pyrimidin-2-ylmethanone (CID 105471940) is (5-fluoro-2-hydroxyphenyl)-pyrimidin-2-ylmethanone.
What is the SMILES notation for (5-fluoro-2-hydroxyphenyl)-pyrimidin-2-ylmethanone?
The canonical SMILES for (5-fluoro-2-hydroxyphenyl)-pyrimidin-2-ylmethanone is O=C(c1ncccn1)c1cc(F)ccc1O.
What is the InChIKey of (5-fluoro-2-hydroxyphenyl)-pyrimidin-2-ylmethanone?
The InChIKey is XOFBYBHPFSXAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O2/c12-7-2-3-9(15)8(6-7)10(16)11-13-4-1-5-14-11/h1-6,15H.
What are the key properties of (5-fluoro-2-hydroxyphenyl)-pyrimidin-2-ylmethanone?
(5-fluoro-2-hydroxyphenyl)-pyrimidin-2-ylmethanone has a molecular weight of 218.19 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-hydroxyphenyl)-pyrimidin-2-ylmethanone is sourced from PubChem (CID 105471940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).