(3-fluoro-4-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanol

C15H12FNO2 — CID 114727130

IUPAC(3-fluoro-4-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanol
SMILESCc1cccc2cc(C(O)c3ccncc3F)oc12
InChIInChI=1S/C15H12FNO2/c1-9-3-2-4-10-7-13(19-15(9)10)14(18)11-5-6-17-8-12(11)16/h2-8,14,18H,1H3
InChIKeyILXYIXAVDOAFNN-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.36
Rot. Bonds2

About (3-fluoro-4-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanol

(3-fluoro-4-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanol (PubChem CID 114727130) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanol
PubChem CID114727130
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name(3-fluoro-4-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanol
SMILESCc1cccc2cc(C(O)c3ccncc3F)oc12
InChIInChI=1S/C15H12FNO2/c1-9-3-2-4-10-7-13(19-15(9)10)14(18)11-5-6-17-8-12(11)16/h2-8,14,18H,1H3
InChIKeyILXYIXAVDOAFNN-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

(7-methyl-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanol
CID 105129303
(2-amino-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114727209
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114727129
(5-chloro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114727131
(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723415
[(7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105258723
(7-chloro-1-benzofuran-2-yl)-(3-ethyl-4-pyridinyl)methanol
CID 114727190
1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723563
(3,5-dimethylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723638
(5-chloro-2-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 115837002
(7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 115836437
(3,4-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723344

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of (3-fluoro-4-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanol (CID 114727130) is (3-fluoro-4-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for (3-fluoro-4-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanol is Cc1cccc2cc(C(O)c3ccncc3F)oc12.
What is the InChIKey of (3-fluoro-4-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is ILXYIXAVDOAFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c1-9-3-2-4-10-7-13(19-15(9)10)14(18)11-5-6-17-8-12(11)16/h2-8,14,18H,1H3.
What are the key properties of (3-fluoro-4-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanol?
(3-fluoro-4-pyridinyl)-(7-methyl-1-benzofuran-2-yl)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 (3-fluoro-4-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114727130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).