(5-fluoro-3-methyl-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol

C14H11FN2O2 — CID 105083715

IUPAC(5-fluoro-3-methyl-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol
SMILESCc1c(C(O)c2cncnc2)oc2ccc(F)cc12
InChIInChI=1S/C14H11FN2O2/c1-8-11-4-10(15)2-3-12(11)19-14(8)13(18)9-5-16-7-17-6-9/h2-7,13,18H,1H3
InChIKeyHZQAKJCWQMPRAD-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.75
Rot. Bonds2

About (5-fluoro-3-methyl-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol

(5-fluoro-3-methyl-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol (PubChem CID 105083715) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is (5-fluoro-3-methyl-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name(5-fluoro-3-methyl-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol
PubChem CID105083715
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name(5-fluoro-3-methyl-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol
SMILESCc1c(C(O)c2cncnc2)oc2ccc(F)cc12
InChIInChI=1S/C14H11FN2O2/c1-8-11-4-10(15)2-3-12(11)19-14(8)13(18)9-5-16-7-17-6-9/h2-7,13,18H,1H3
InChIKeyHZQAKJCWQMPRAD-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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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-methyl-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol?
The IUPAC name of (5-fluoro-3-methyl-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol (CID 105083715) is (5-fluoro-3-methyl-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for (5-fluoro-3-methyl-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol?
The canonical SMILES for (5-fluoro-3-methyl-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol is Cc1c(C(O)c2cncnc2)oc2ccc(F)cc12.
What is the InChIKey of (5-fluoro-3-methyl-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol?
The InChIKey is HZQAKJCWQMPRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c1-8-11-4-10(15)2-3-12(11)19-14(8)13(18)9-5-16-7-17-6-9/h2-7,13,18H,1H3.
What are the key properties of (5-fluoro-3-methyl-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol?
(5-fluoro-3-methyl-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol 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-3-methyl-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 105083715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).