7-chloro-6-fluoro-2H-isoquinolin-1-one

C9H5ClFNO — CID 59818248

IUPAC7-chloro-6-fluoro-2H-isoquinolin-1-one
SMILESO=c1[nH]ccc2cc(F)c(Cl)cc12
InChIInChI=1S/C9H5ClFNO/c10-7-4-6-5(3-8(7)11)1-2-12-9(6)13/h1-4H,(H,12,13)
InChIKeyBFLNRHDKVKSYSV-UHFFFAOYSA-N
MW197.60 g/mol
LogP2.32
Rot. Bonds

About 7-chloro-6-fluoro-2H-isoquinolin-1-one

7-chloro-6-fluoro-2H-isoquinolin-1-one (PubChem CID 59818248) has the molecular formula C9H5ClFNO and a molecular weight of 197.60 g/mol. Its IUPAC name is 7-chloro-6-fluoro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-chloro-6-fluoro-2H-isoquinolin-1-one
PubChem CID59818248
Molecular FormulaC9H5ClFNO
Molecular Weight197.60 g/mol
Exact Mass197.00
IUPAC Name7-chloro-6-fluoro-2H-isoquinolin-1-one
SMILESO=c1[nH]ccc2cc(F)c(Cl)cc12
InChIInChI=1S/C9H5ClFNO/c10-7-4-6-5(3-8(7)11)1-2-12-9(6)13/h1-4H,(H,12,13)
InChIKeyBFLNRHDKVKSYSV-UHFFFAOYSA-N
XLogP2.32
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.60
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-2H-isoquinolin-1-one?
The IUPAC name of 7-chloro-6-fluoro-2H-isoquinolin-1-one (CID 59818248) is 7-chloro-6-fluoro-2H-isoquinolin-1-one.
What is the SMILES notation for 7-chloro-6-fluoro-2H-isoquinolin-1-one?
The canonical SMILES for 7-chloro-6-fluoro-2H-isoquinolin-1-one is O=c1[nH]ccc2cc(F)c(Cl)cc12.
What is the InChIKey of 7-chloro-6-fluoro-2H-isoquinolin-1-one?
The InChIKey is BFLNRHDKVKSYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFNO/c10-7-4-6-5(3-8(7)11)1-2-12-9(6)13/h1-4H,(H,12,13).
What are the key properties of 7-chloro-6-fluoro-2H-isoquinolin-1-one?
7-chloro-6-fluoro-2H-isoquinolin-1-one has a molecular weight of 197.60 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-2H-isoquinolin-1-one is sourced from PubChem (CID 59818248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).