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

C14H9BrClNO2 — CID 114724822

IUPAC(5-bromo-3-pyridinyl)-(5-chloro-1-benzofuran-2-yl)methanol
SMILESOC(c1cncc(Br)c1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H9BrClNO2/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
InChIKeyWXTUUWFFRXFGRR-UHFFFAOYSA-N
MW338.59 g/mol
LogP4.33
Rot. Bonds2

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

(5-bromo-3-pyridinyl)-(5-chloro-1-benzofuran-2-yl)methanol (PubChem CID 114724822) has the molecular formula C14H9BrClNO2 and a molecular weight of 338.59 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-(5-chloro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-(5-chloro-1-benzofuran-2-yl)methanol
PubChem CID114724822
Molecular FormulaC14H9BrClNO2
Molecular Weight338.59 g/mol
Exact Mass336.95
IUPAC Name(5-bromo-3-pyridinyl)-(5-chloro-1-benzofuran-2-yl)methanol
SMILESOC(c1cncc(Br)c1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H9BrClNO2/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
InChIKeyWXTUUWFFRXFGRR-UHFFFAOYSA-N
XLogP4.33
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.59
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-1-benzofuran-2-yl)-(6-chloro-3-pyridinyl)methanol
CID 114727055
(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol
CID 114723424
(5-chloro-1-benzofuran-2-yl)-(3-chloro-5-fluorophenyl)methanol
CID 114724925
(5-chloro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114727131
(3-bromo-4-methoxyphenyl)-(5-chloro-1-benzofuran-2-yl)methanol
CID 114723297
(3-bromo-2-chlorophenyl)-(5-chloro-1-benzofuran-2-yl)methanol
CID 115836547
(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-pyridinyl)methanol
CID 114726981
(5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)methanol
CID 106859550
(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methoxyphenyl)methanol
CID 114723930
(5-chloro-1-benzofuran-2-yl)-(3-cyclopropylimidazol-4-yl)methanol
CID 114724169
[(5-chloro-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105338577
[(3-bromo-5-chlorophenyl)-(5-chloro-1-benzofuran-2-yl)methyl]hydrazine
CID 107948526

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-(5-chloro-1-benzofuran-2-yl)methanol?
The IUPAC name of (5-bromo-3-pyridinyl)-(5-chloro-1-benzofuran-2-yl)methanol (CID 114724822) is (5-bromo-3-pyridinyl)-(5-chloro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (5-bromo-3-pyridinyl)-(5-chloro-1-benzofuran-2-yl)methanol?
The canonical SMILES for (5-bromo-3-pyridinyl)-(5-chloro-1-benzofuran-2-yl)methanol is OC(c1cncc(Br)c1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of (5-bromo-3-pyridinyl)-(5-chloro-1-benzofuran-2-yl)methanol?
The InChIKey is WXTUUWFFRXFGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClNO2/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-chloro-1-benzofuran-2-yl)methanol?
(5-bromo-3-pyridinyl)-(5-chloro-1-benzofuran-2-yl)methanol has a molecular weight of 338.59 g/mol, XLogP of 4.33, 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-chloro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114724822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).