5-chloro-4-fluoro-6-methoxy-2,3-dihydro-1H-isoindole

C9H9ClFNO — CID 175497049

IUPAC5-chloro-4-fluoro-6-methoxy-2,3-dihydro-1H-isoindole
SMILESCOc1cc2c(c(F)c1Cl)CNC2
InChIInChI=1S/C9H9ClFNO/c1-13-7-2-5-3-12-4-6(5)9(11)8(7)10/h2,12H,3-4H2,1H3
InChIKeyFSCQZGKFMVPFTK-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.09
Rot. Bonds1

About 5-chloro-4-fluoro-6-methoxy-2,3-dihydro-1H-isoindole

5-chloro-4-fluoro-6-methoxy-2,3-dihydro-1H-isoindole (PubChem CID 175497049) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 5-chloro-4-fluoro-6-methoxy-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name5-chloro-4-fluoro-6-methoxy-2,3-dihydro-1H-isoindole
PubChem CID175497049
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name5-chloro-4-fluoro-6-methoxy-2,3-dihydro-1H-isoindole
SMILESCOc1cc2c(c(F)c1Cl)CNC2
InChIInChI=1S/C9H9ClFNO/c1-13-7-2-5-3-12-4-6(5)9(11)8(7)10/h2,12H,3-4H2,1H3
InChIKeyFSCQZGKFMVPFTK-UHFFFAOYSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-6-methoxy-2,3-dihydro-1H-isoindol-5-ol;hydrochloride
CID 165391266
4-chloro-5-[3-[(4-fluoro-6-methoxy-2,3-dihydro-1H-isoindol-5-yl)oxy]propoxy]-6-methoxy-2,3-dihydro-1H-isoindole
CID 167240823
6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole
CID 130064518
8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 84657900
4,6-difluoro-2,3-dihydro-1H-isoindole
CID 117275596
methyl 7-chloro-2,3-dihydro-1H-isoindole-5-carboxylate
CID 130064567
ethane;6-methoxy-7-methyl-1,2,3,4-tetrahydroisoquinoline
CID 166464794
4-chloro-3-fluoro-2-(1-hydroxycyclopropyl)-5-methoxyphenol
CID 84795728
4-chloro-6-(difluoromethyl)-2,3-dihydro-1H-isoindole
CID 84671905
3-[(2-chloro-5-fluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 84802168
5-methoxy-6-nitro-2,3-dihydro-1H-isoindole;hydrochloride
CID 177238657
6-bromo-4-chloro-2,3-dihydro-1H-isoindole
CID 130064556

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-6-methoxy-2,3-dihydro-1H-isoindole?
The IUPAC name of 5-chloro-4-fluoro-6-methoxy-2,3-dihydro-1H-isoindole (CID 175497049) is 5-chloro-4-fluoro-6-methoxy-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 5-chloro-4-fluoro-6-methoxy-2,3-dihydro-1H-isoindole?
The canonical SMILES for 5-chloro-4-fluoro-6-methoxy-2,3-dihydro-1H-isoindole is COc1cc2c(c(F)c1Cl)CNC2.
What is the InChIKey of 5-chloro-4-fluoro-6-methoxy-2,3-dihydro-1H-isoindole?
The InChIKey is FSCQZGKFMVPFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c1-13-7-2-5-3-12-4-6(5)9(11)8(7)10/h2,12H,3-4H2,1H3.
What are the key properties of 5-chloro-4-fluoro-6-methoxy-2,3-dihydro-1H-isoindole?
5-chloro-4-fluoro-6-methoxy-2,3-dihydro-1H-isoindole has a molecular weight of 201.63 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-6-methoxy-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 175497049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).