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

C14H9F2NO2 — CID 114727129

IUPAC(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
SMILESOC(c1cc2cc(F)ccc2o1)c1ccncc1F
InChIInChI=1S/C14H9F2NO2/c15-9-1-2-12-8(5-9)6-13(19-12)14(18)10-3-4-17-7-11(10)16/h1-7,14,18H
InChIKeyUSMGWEKSAWFKTF-UHFFFAOYSA-N
MW261.23 g/mol
LogP3.19
Rot. Bonds2

About (5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol

(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol (PubChem CID 114727129) has the molecular formula C14H9F2NO2 and a molecular weight of 261.23 g/mol. Its IUPAC name is (5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol.

Molecular Properties

Compound Name(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
PubChem CID114727129
Molecular FormulaC14H9F2NO2
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Name(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
SMILESOC(c1cc2cc(F)ccc2o1)c1ccncc1F
InChIInChI=1S/C14H9F2NO2/c15-9-1-2-12-8(5-9)6-13(19-12)14(18)10-3-4-17-7-11(10)16/h1-7,14,18H
InChIKeyUSMGWEKSAWFKTF-UHFFFAOYSA-N
XLogP3.19
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114727131
(2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723613
N-[(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 114730477
(2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723648
(1,5-dimethylpyrazol-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114724197
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 114730648
(3-fluoro-4-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114727130
(2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836603
1-(3-chloro-4-pyridinyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105185873
(5-bromo-2-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836655
(5-fluoro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanol
CID 106756364
(5-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanol
CID 114724539

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol?
The IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol (CID 114727129) is (5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol.
What is the SMILES notation for (5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol?
The canonical SMILES for (5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol is OC(c1cc2cc(F)ccc2o1)c1ccncc1F.
What is the InChIKey of (5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol?
The InChIKey is USMGWEKSAWFKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO2/c15-9-1-2-12-8(5-9)6-13(19-12)14(18)10-3-4-17-7-11(10)16/h1-7,14,18H.
What are the key properties of (5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol?
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol has a molecular weight of 261.23 g/mol, XLogP of 3.19, 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)-(3-fluoro-4-pyridinyl)methanol is sourced from PubChem (CID 114727129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).