(5-fluoro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanol

C15H12FNO2 — CID 106756364

IUPAC(5-fluoro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanol
SMILESCc1cc(C(O)c2cc3cc(F)ccc3o2)ccn1
InChIInChI=1S/C15H12FNO2/c1-9-6-10(4-5-17-9)15(18)14-8-11-7-12(16)2-3-13(11)19-14/h2-8,15,18H,1H3
InChIKeyJGXRJQIYXRLFSB-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.36
Rot. Bonds2

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

(5-fluoro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanol (PubChem CID 106756364) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is (5-fluoro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanol.

Molecular Properties

Compound Name(5-fluoro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanol
PubChem CID106756364
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name(5-fluoro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanol
SMILESCc1cc(C(O)c2cc3cc(F)ccc3o2)ccn1
InChIInChI=1S/C15H12FNO2/c1-9-6-10(4-5-17-9)15(18)14-8-11-7-12(16)2-3-13(11)19-14/h2-8,15,18H,1H3
InChIKeyJGXRJQIYXRLFSB-UHFFFAOYSA-N
XLogP3.36
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanol
CID 114724539
(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 114723636
(4-fluoro-2-methylphenyl)-(2-methyl-4-pyridinyl)methanol
CID 106756177
(5-bromothiophen-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 105129515
(3-fluorophenyl)-(2-methyl-4-pyridinyl)methanol
CID 106756088
(3-fluoro-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114727112
(2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836603
(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
(3-cyclopropylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114724257
(1,5-dimethylpyrazol-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114724197
(3,5-dimethylphenyl)-(2-methyl-4-pyridinyl)methanol
CID 106756094

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanol?
The IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanol (CID 106756364) is (5-fluoro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanol.
What is the SMILES notation for (5-fluoro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanol?
The canonical SMILES for (5-fluoro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanol is Cc1cc(C(O)c2cc3cc(F)ccc3o2)ccn1.
What is the InChIKey of (5-fluoro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanol?
The InChIKey is JGXRJQIYXRLFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c1-9-6-10(4-5-17-9)15(18)14-8-11-7-12(16)2-3-13(11)19-14/h2-8,15,18H,1H3.
What are the key properties of (5-fluoro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanol?
(5-fluoro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanol has a molecular weight of 257.26 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanol is sourced from PubChem (CID 106756364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).