2-[(9aS)-5a,9a-dihydrodibenzofuran-2-yl]-3-chloropyridine

C17H12ClNO — CID 146294855

IUPAC2-[(9aS)-5a,9a-dihydrodibenzofuran-2-yl]-3-chloropyridine
SMILESClc1cccnc1-c1ccc2c(c1)[C@@H]1C=CC=CC1O2
InChIInChI=1S/C17H12ClNO/c18-14-5-3-9-19-17(14)11-7-8-16-13(10-11)12-4-1-2-6-15(12)20-16/h1-10,12,15H/t12-,15?/m0/s1
InChIKeyXWXGVVRBWKWBAU-SFVWDYPZSA-N
MW281.74 g/mol
LogP4.37
Rot. Bonds1

About 2-[(9aS)-5a,9a-dihydrodibenzofuran-2-yl]-3-chloropyridine

2-[(9aS)-5a,9a-dihydrodibenzofuran-2-yl]-3-chloropyridine (PubChem CID 146294855) has the molecular formula C17H12ClNO and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-[(9aS)-5a,9a-dihydrodibenzofuran-2-yl]-3-chloropyridine.

Molecular Properties

Compound Name2-[(9aS)-5a,9a-dihydrodibenzofuran-2-yl]-3-chloropyridine
PubChem CID146294855
Molecular FormulaC17H12ClNO
Molecular Weight281.74 g/mol
Exact Mass281.06
IUPAC Name2-[(9aS)-5a,9a-dihydrodibenzofuran-2-yl]-3-chloropyridine
SMILESClc1cccnc1-c1ccc2c(c1)[C@@H]1C=CC=CC1O2
InChIInChI=1S/C17H12ClNO/c18-14-5-3-9-19-17(14)11-7-8-16-13(10-11)12-4-1-2-6-15(12)20-16/h1-10,12,15H/t12-,15?/m0/s1
InChIKeyXWXGVVRBWKWBAU-SFVWDYPZSA-N
XLogP4.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(9aS)-5a,9a-dihydrodibenzofuran-2-yl]-3-chloropyridine?
The IUPAC name of 2-[(9aS)-5a,9a-dihydrodibenzofuran-2-yl]-3-chloropyridine (CID 146294855) is 2-[(9aS)-5a,9a-dihydrodibenzofuran-2-yl]-3-chloropyridine.
What is the SMILES notation for 2-[(9aS)-5a,9a-dihydrodibenzofuran-2-yl]-3-chloropyridine?
The canonical SMILES for 2-[(9aS)-5a,9a-dihydrodibenzofuran-2-yl]-3-chloropyridine is Clc1cccnc1-c1ccc2c(c1)[C@@H]1C=CC=CC1O2.
What is the InChIKey of 2-[(9aS)-5a,9a-dihydrodibenzofuran-2-yl]-3-chloropyridine?
The InChIKey is XWXGVVRBWKWBAU-SFVWDYPZSA-N. The full InChI is InChI=1S/C17H12ClNO/c18-14-5-3-9-19-17(14)11-7-8-16-13(10-11)12-4-1-2-6-15(12)20-16/h1-10,12,15H/t12-,15?/m0/s1.
What are the key properties of 2-[(9aS)-5a,9a-dihydrodibenzofuran-2-yl]-3-chloropyridine?
2-[(9aS)-5a,9a-dihydrodibenzofuran-2-yl]-3-chloropyridine has a molecular weight of 281.74 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9aS)-5a,9a-dihydrodibenzofuran-2-yl]-3-chloropyridine is sourced from PubChem (CID 146294855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).