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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-2-(3,4-dichlorophenyl)pyridine
CID 133088428
(4aR,9bR)-8-methyl-4a,9b-dihydrodibenzofuran
CID 146532547
9-[2-[3-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 166037349
8-[10-[4-(3-phenylnaphthalen-1-yl)phenyl]anthracen-9-yl]-4a,9b-dihydrodibenzofuran
CID 164841482
3-chloro-2-(3-chloro-2-pyridinyl)pyridine;palladium(2+)
CID 18935247
2-chloro-4-(3-chloro-2-pyridinyl)benzoic acid
CID 68944876
2-amino-4-(3-chloro-2-pyridinyl)benzonitrile
CID 22030226
3-chloro-2-phenylpyridine;2-methylpropanoic acid
CID 174792779
4-(3-chloro-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 11245549
N-[(1R)-1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170345331
9-(4-chloro-5a,9a-dihydrodibenzofuran-2-yl)carbazole
CID 156521090
2-(3-chloro-2-pyridinyl)benzene-1,4-diamine
CID 18415424

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).