2-chloro-4-phenyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine

C13H12ClNO — CID 84697255

IUPAC2-chloro-4-phenyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
SMILESClc1cc2c(o1)CCNC2c1ccccc1
InChIInChI=1S/C13H12ClNO/c14-12-8-10-11(16-12)6-7-15-13(10)9-4-2-1-3-5-9/h1-5,8,13,15H,6-7H2
InChIKeyIANIMUSQNZEYNM-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.17
Rot. Bonds1

About 2-chloro-4-phenyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine

2-chloro-4-phenyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine (PubChem CID 84697255) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-chloro-4-phenyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine.

Molecular Properties

Compound Name2-chloro-4-phenyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
PubChem CID84697255
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name2-chloro-4-phenyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
SMILESClc1cc2c(o1)CCNC2c1ccccc1
InChIInChI=1S/C13H12ClNO/c14-12-8-10-11(16-12)6-7-15-13(10)9-4-2-1-3-5-9/h1-5,8,13,15H,6-7H2
InChIKeyIANIMUSQNZEYNM-UHFFFAOYSA-N
XLogP3.17
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
The IUPAC name of 2-chloro-4-phenyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine (CID 84697255) is 2-chloro-4-phenyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine.
What is the SMILES notation for 2-chloro-4-phenyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
The canonical SMILES for 2-chloro-4-phenyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine is Clc1cc2c(o1)CCNC2c1ccccc1.
What is the InChIKey of 2-chloro-4-phenyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
The InChIKey is IANIMUSQNZEYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c14-12-8-10-11(16-12)6-7-15-13(10)9-4-2-1-3-5-9/h1-5,8,13,15H,6-7H2.
What are the key properties of 2-chloro-4-phenyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
2-chloro-4-phenyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine has a molecular weight of 233.70 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine is sourced from PubChem (CID 84697255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).