(5-chloro-1-benzofuran-2-yl)-(6-chloro-3-pyridinyl)methanol

C14H9Cl2NO2 — CID 114727055

IUPAC(5-chloro-1-benzofuran-2-yl)-(6-chloro-3-pyridinyl)methanol
SMILESOC(c1ccc(Cl)nc1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H9Cl2NO2/c15-10-2-3-11-9(5-10)6-12(19-11)14(18)8-1-4-13(16)17-7-8/h1-7,14,18H
InChIKeyYLJQAYLKUWZWIC-UHFFFAOYSA-N
MW294.14 g/mol
LogP4.22
Rot. Bonds2

About (5-chloro-1-benzofuran-2-yl)-(6-chloro-3-pyridinyl)methanol

(5-chloro-1-benzofuran-2-yl)-(6-chloro-3-pyridinyl)methanol (PubChem CID 114727055) has the molecular formula C14H9Cl2NO2 and a molecular weight of 294.14 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-(6-chloro-3-pyridinyl)methanol.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-(6-chloro-3-pyridinyl)methanol
PubChem CID114727055
Molecular FormulaC14H9Cl2NO2
Molecular Weight294.14 g/mol
Exact Mass293.00
IUPAC Name(5-chloro-1-benzofuran-2-yl)-(6-chloro-3-pyridinyl)methanol
SMILESOC(c1ccc(Cl)nc1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H9Cl2NO2/c15-10-2-3-11-9(5-10)6-12(19-11)14(18)8-1-4-13(16)17-7-8/h1-7,14,18H
InChIKeyYLJQAYLKUWZWIC-UHFFFAOYSA-N
XLogP4.22
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol
CID 114723424
(5-bromo-3-pyridinyl)-(5-chloro-1-benzofuran-2-yl)methanol
CID 114724822
(5-chloro-1-benzofuran-2-yl)-(3-chloro-5-fluorophenyl)methanol
CID 114724925
(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-pyridinyl)methanol
CID 114726981
(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methoxyphenyl)methanol
CID 114723930
(5-chloro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114727131
(5-chloro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methanol
CID 114726543
(3-bromo-4-methoxyphenyl)-(5-chloro-1-benzofuran-2-yl)methanol
CID 114723297
(5-chloro-1-benzofuran-2-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107969916
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanol
CID 114724857
(5-chloro-1-benzofuran-2-yl)-(5-ethylfuran-2-yl)methanol
CID 114723599

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-(6-chloro-3-pyridinyl)methanol?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-(6-chloro-3-pyridinyl)methanol (CID 114727055) is (5-chloro-1-benzofuran-2-yl)-(6-chloro-3-pyridinyl)methanol.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-(6-chloro-3-pyridinyl)methanol?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-(6-chloro-3-pyridinyl)methanol is OC(c1ccc(Cl)nc1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-(6-chloro-3-pyridinyl)methanol?
The InChIKey is YLJQAYLKUWZWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO2/c15-10-2-3-11-9(5-10)6-12(19-11)14(18)8-1-4-13(16)17-7-8/h1-7,14,18H.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-(6-chloro-3-pyridinyl)methanol?
(5-chloro-1-benzofuran-2-yl)-(6-chloro-3-pyridinyl)methanol has a molecular weight of 294.14 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-benzofuran-2-yl)-(6-chloro-3-pyridinyl)methanol is sourced from PubChem (CID 114727055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).