5-(7-chloro-6-fluoro-1-benzofuran-3-yl)-1,2,3,6-tetrahydropyridine

C13H11ClFNO — CID 176569330

IUPAC5-(7-chloro-6-fluoro-1-benzofuran-3-yl)-1,2,3,6-tetrahydropyridine
SMILESFc1ccc2c(C3=CCCNC3)coc2c1Cl
InChIInChI=1S/C13H11ClFNO/c14-12-11(15)4-3-9-10(7-17-13(9)12)8-2-1-5-16-6-8/h2-4,7,16H,1,5-6H2
InChIKeyUFCGHWIMAYQPSK-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.60
Rot. Bonds1

About 5-(7-chloro-6-fluoro-1-benzofuran-3-yl)-1,2,3,6-tetrahydropyridine

5-(7-chloro-6-fluoro-1-benzofuran-3-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 176569330) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is 5-(7-chloro-6-fluoro-1-benzofuran-3-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(7-chloro-6-fluoro-1-benzofuran-3-yl)-1,2,3,6-tetrahydropyridine
PubChem CID176569330
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name5-(7-chloro-6-fluoro-1-benzofuran-3-yl)-1,2,3,6-tetrahydropyridine
SMILESFc1ccc2c(C3=CCCNC3)coc2c1Cl
InChIInChI=1S/C13H11ClFNO/c14-12-11(15)4-3-9-10(7-17-13(9)12)8-2-1-5-16-6-8/h2-4,7,16H,1,5-6H2
InChIKeyUFCGHWIMAYQPSK-UHFFFAOYSA-N
XLogP3.60
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-6-fluoro-1-benzofuran-3-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(7-chloro-6-fluoro-1-benzofuran-3-yl)-1,2,3,6-tetrahydropyridine (CID 176569330) is 5-(7-chloro-6-fluoro-1-benzofuran-3-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(7-chloro-6-fluoro-1-benzofuran-3-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(7-chloro-6-fluoro-1-benzofuran-3-yl)-1,2,3,6-tetrahydropyridine is Fc1ccc2c(C3=CCCNC3)coc2c1Cl.
What is the InChIKey of 5-(7-chloro-6-fluoro-1-benzofuran-3-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is UFCGHWIMAYQPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c14-12-11(15)4-3-9-10(7-17-13(9)12)8-2-1-5-16-6-8/h2-4,7,16H,1,5-6H2.
What are the key properties of 5-(7-chloro-6-fluoro-1-benzofuran-3-yl)-1,2,3,6-tetrahydropyridine?
5-(7-chloro-6-fluoro-1-benzofuran-3-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 251.69 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-6-fluoro-1-benzofuran-3-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 176569330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).