2-chloro-6-(5-fluoro-1-benzofuran-2-yl)pyridine

C13H7ClFNO — CID 114734234

IUPAC2-chloro-6-(5-fluoro-1-benzofuran-2-yl)pyridine
SMILESFc1ccc2oc(-c3cccc(Cl)n3)cc2c1
InChIInChI=1S/C13H7ClFNO/c14-13-3-1-2-10(16-13)12-7-8-6-9(15)4-5-11(8)17-12/h1-7H
InChIKeyVRQDWEKZMXLTRG-UHFFFAOYSA-N
MW247.66 g/mol
LogP4.29
Rot. Bonds1

About 2-chloro-6-(5-fluoro-1-benzofuran-2-yl)pyridine

2-chloro-6-(5-fluoro-1-benzofuran-2-yl)pyridine (PubChem CID 114734234) has the molecular formula C13H7ClFNO and a molecular weight of 247.66 g/mol. Its IUPAC name is 2-chloro-6-(5-fluoro-1-benzofuran-2-yl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(5-fluoro-1-benzofuran-2-yl)pyridine
PubChem CID114734234
Molecular FormulaC13H7ClFNO
Molecular Weight247.66 g/mol
Exact Mass247.02
IUPAC Name2-chloro-6-(5-fluoro-1-benzofuran-2-yl)pyridine
SMILESFc1ccc2oc(-c3cccc(Cl)n3)cc2c1
InChIInChI=1S/C13H7ClFNO/c14-13-3-1-2-10(16-13)12-7-8-6-9(15)4-5-11(8)17-12/h1-7H
InChIKeyVRQDWEKZMXLTRG-UHFFFAOYSA-N
XLogP4.29
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.66
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-(5-fluoro-1-benzofuran-2-yl)-1H-pyridazin-6-one
CID 106521848
1-chloro-4-(5-fluoro-1-benzofuran-2-yl)phthalazine
CID 114734232
4-(5-fluoro-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine
CID 114734817
2-bromo-5-(5-fluoro-1-benzofuran-2-yl)-1,3,4-thiadiazole
CID 114734262
3-chloro-4-(5-fluoro-1-benzofuran-2-yl)aniline
CID 107616054
2-chloro-6-(6-chloro-2-pyridinyl)pyridine
CID 10987918
2-chloro-6-(3-fluoro-5-methylphenyl)pyridine
CID 79689816
1-[3-(5-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
CID 114731929
2-bromo-6-(5-methyl-1-benzofuran-2-yl)pyridine
CID 114734121
6-(5-fluoro-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine
CID 114734785
2-tert-butyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one
CID 136770179
7-fluoro-2-(7-fluorobenzo[f][1]benzofuran-2-yl)benzo[f][1]benzofuran
CID 71108521

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(5-fluoro-1-benzofuran-2-yl)pyridine?
The IUPAC name of 2-chloro-6-(5-fluoro-1-benzofuran-2-yl)pyridine (CID 114734234) is 2-chloro-6-(5-fluoro-1-benzofuran-2-yl)pyridine.
What is the SMILES notation for 2-chloro-6-(5-fluoro-1-benzofuran-2-yl)pyridine?
The canonical SMILES for 2-chloro-6-(5-fluoro-1-benzofuran-2-yl)pyridine is Fc1ccc2oc(-c3cccc(Cl)n3)cc2c1.
What is the InChIKey of 2-chloro-6-(5-fluoro-1-benzofuran-2-yl)pyridine?
The InChIKey is VRQDWEKZMXLTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFNO/c14-13-3-1-2-10(16-13)12-7-8-6-9(15)4-5-11(8)17-12/h1-7H.
What are the key properties of 2-chloro-6-(5-fluoro-1-benzofuran-2-yl)pyridine?
2-chloro-6-(5-fluoro-1-benzofuran-2-yl)pyridine has a molecular weight of 247.66 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(5-fluoro-1-benzofuran-2-yl)pyridine is sourced from PubChem (CID 114734234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).