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

C14H9BrFNO2 — CID 114724823

IUPAC(5-bromo-3-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanol
SMILESOC(c1cncc(Br)c1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H9BrFNO2/c15-10-3-9(6-17-7-10)14(18)13-5-8-4-11(16)1-2-12(8)19-13/h1-7,14,18H
InChIKeyCJNWHFXVMNBCSG-UHFFFAOYSA-N
MW322.13 g/mol
LogP3.81
Rot. Bonds2

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

(5-bromo-3-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanol (PubChem CID 114724823) has the molecular formula C14H9BrFNO2 and a molecular weight of 322.13 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanol
PubChem CID114724823
Molecular FormulaC14H9BrFNO2
Molecular Weight322.13 g/mol
Exact Mass320.98
IUPAC Name(5-bromo-3-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanol
SMILESOC(c1cncc(Br)c1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H9BrFNO2/c15-10-3-9(6-17-7-10)14(18)13-5-8-4-11(16)1-2-12(8)19-13/h1-7,14,18H
InChIKeyCJNWHFXVMNBCSG-UHFFFAOYSA-N
XLogP3.81
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.13
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The IUPAC name of (5-bromo-3-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanol (CID 114724823) is (5-bromo-3-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (5-bromo-3-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The canonical SMILES for (5-bromo-3-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanol is OC(c1cncc(Br)c1)c1cc2cc(F)ccc2o1.
What is the InChIKey of (5-bromo-3-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The InChIKey is CJNWHFXVMNBCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFNO2/c15-10-3-9(6-17-7-10)14(18)13-5-8-4-11(16)1-2-12(8)19-13/h1-7,14,18H.
What are the key properties of (5-bromo-3-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanol?
(5-bromo-3-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanol has a molecular weight of 322.13 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114724823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).