(5-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanol

C14H11FN2O2 — CID 114724539

IUPAC(5-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanol
SMILESCc1nccc(C(O)c2cc3cc(F)ccc3o2)n1
InChIInChI=1S/C14H11FN2O2/c1-8-16-5-4-11(17-8)14(18)13-7-9-6-10(15)2-3-12(9)19-13/h2-7,14,18H,1H3
InChIKeyDQCBZKKIBRTDJW-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.75
Rot. Bonds2

About (5-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanol

(5-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanol (PubChem CID 114724539) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is (5-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanol.

Molecular Properties

Compound Name(5-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanol
PubChem CID114724539
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name(5-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanol
SMILESCc1nccc(C(O)c2cc3cc(F)ccc3o2)n1
InChIInChI=1S/C14H11FN2O2/c1-8-16-5-4-11(17-8)14(18)13-7-9-6-10(15)2-3-12(9)19-13/h2-7,14,18H,1H3
InChIKeyDQCBZKKIBRTDJW-UHFFFAOYSA-N
XLogP2.75
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanol
CID 106756364
(1,5-dimethylpyrazol-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114724197
(2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836603
(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 114723636
(2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723613
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114727129
(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-pyridinyl)methanol
CID 114726981
(5-chloro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methanol
CID 114726543
(4,5-dibromofuran-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723341
(5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114726422
(5-bromo-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836630
1-(5-fluoro-1-benzofuran-2-yl)-2,3-dimethylbutan-1-ol
CID 115836618

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanol?
The IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanol (CID 114724539) is (5-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanol.
What is the SMILES notation for (5-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanol?
The canonical SMILES for (5-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanol is Cc1nccc(C(O)c2cc3cc(F)ccc3o2)n1.
What is the InChIKey of (5-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanol?
The InChIKey is DQCBZKKIBRTDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c1-8-16-5-4-11(17-8)14(18)13-7-9-6-10(15)2-3-12(9)19-13/h2-7,14,18H,1H3.
What are the key properties of (5-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanol?
(5-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanol has a molecular weight of 258.25 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanol is sourced from PubChem (CID 114724539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).