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

C16H13BrFNO2 — CID 105126371

IUPAC2-(5-bromo-3-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol
SMILESCc1c(C(O)Cc2cncc(Br)c2)oc2ccc(F)cc12
InChIInChI=1S/C16H13BrFNO2/c1-9-13-6-12(18)2-3-15(13)21-16(9)14(20)5-10-4-11(17)8-19-7-10/h2-4,6-8,14,20H,5H2,1H3
InChIKeyBAOVZSKVNREBJZ-UHFFFAOYSA-N
MW350.19 g/mol
LogP4.31
Rot. Bonds3

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

2-(5-bromo-3-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol (PubChem CID 105126371) has the molecular formula C16H13BrFNO2 and a molecular weight of 350.19 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol
PubChem CID105126371
Molecular FormulaC16H13BrFNO2
Molecular Weight350.19 g/mol
Exact Mass349.01
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol
SMILESCc1c(C(O)Cc2cncc(Br)c2)oc2ccc(F)cc12
InChIInChI=1S/C16H13BrFNO2/c1-9-13-6-12(18)2-3-15(13)21-16(9)14(20)5-10-4-11(17)8-19-7-10/h2-4,6-8,14,20H,5H2,1H3
InChIKeyBAOVZSKVNREBJZ-UHFFFAOYSA-N
XLogP4.31
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyridylmethanol, 8a
CID 10064531
Pyridylmethanol, 8f
CID 57340428
3-(6-Bromo-3-pyridinyl)-2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-ol
CID 53301533
Pyridylmethanol, 8c
CID 57340425
Pyridylmethanol, 8d
CID 57340426
4-[3-(2-Fluoro-4-pyridinyl)-1-benzofuran-2-yl]phenol
CID 145956163
(4-Bromophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol
CID 171342463
(4-Bromophenyl)-(6-but-2-ynoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol
CID 171346862
(4-Bromophenyl)-(6-pent-2-ynoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol
CID 171354443
(5-Bromofuro[2,3-b]pyridin-2-yl)methanol
CID 46318204
[3-(9-fluoro-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]-(4-fluorophenyl)methanol
CID 44724846
(4-fluorophenyl)-[3-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]methanol
CID 44724847

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol (CID 105126371) is 2-(5-bromo-3-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol is Cc1c(C(O)Cc2cncc(Br)c2)oc2ccc(F)cc12.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol?
The InChIKey is BAOVZSKVNREBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO2/c1-9-13-6-12(18)2-3-15(13)21-16(9)14(20)5-10-4-11(17)8-19-7-10/h2-4,6-8,14,20H,5H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol?
2-(5-bromo-3-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol has a molecular weight of 350.19 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 105126371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).