7-chloro-6-(fluoroamino)-2H-isoquinolin-1-one

C9H6ClFN2O — CID 138529047

IUPAC7-chloro-6-(fluoroamino)-2H-isoquinolin-1-one
SMILESO=c1[nH]ccc2cc(NF)c(Cl)cc12
InChIInChI=1S/C9H6ClFN2O/c10-7-4-6-5(3-8(7)13-11)1-2-12-9(6)14/h1-4,13H,(H,12,14)
InChIKeyFFGPGTUVDUOBBK-UHFFFAOYSA-N
MW212.61 g/mol
LogP2.48
Rot. Bonds1

About 7-chloro-6-(fluoroamino)-2H-isoquinolin-1-one

7-chloro-6-(fluoroamino)-2H-isoquinolin-1-one (PubChem CID 138529047) has the molecular formula C9H6ClFN2O and a molecular weight of 212.61 g/mol. Its IUPAC name is 7-chloro-6-(fluoroamino)-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-chloro-6-(fluoroamino)-2H-isoquinolin-1-one
PubChem CID138529047
Molecular FormulaC9H6ClFN2O
Molecular Weight212.61 g/mol
Exact Mass212.02
IUPAC Name7-chloro-6-(fluoroamino)-2H-isoquinolin-1-one
SMILESO=c1[nH]ccc2cc(NF)c(Cl)cc12
InChIInChI=1S/C9H6ClFN2O/c10-7-4-6-5(3-8(7)13-11)1-2-12-9(6)14/h1-4,13H,(H,12,14)
InChIKeyFFGPGTUVDUOBBK-UHFFFAOYSA-N
XLogP2.48
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.61
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(fluoroamino)-2H-isoquinolin-1-one?
The IUPAC name of 7-chloro-6-(fluoroamino)-2H-isoquinolin-1-one (CID 138529047) is 7-chloro-6-(fluoroamino)-2H-isoquinolin-1-one.
What is the SMILES notation for 7-chloro-6-(fluoroamino)-2H-isoquinolin-1-one?
The canonical SMILES for 7-chloro-6-(fluoroamino)-2H-isoquinolin-1-one is O=c1[nH]ccc2cc(NF)c(Cl)cc12.
What is the InChIKey of 7-chloro-6-(fluoroamino)-2H-isoquinolin-1-one?
The InChIKey is FFGPGTUVDUOBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O/c10-7-4-6-5(3-8(7)13-11)1-2-12-9(6)14/h1-4,13H,(H,12,14).
What are the key properties of 7-chloro-6-(fluoroamino)-2H-isoquinolin-1-one?
7-chloro-6-(fluoroamino)-2H-isoquinolin-1-one has a molecular weight of 212.61 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(fluoroamino)-2H-isoquinolin-1-one is sourced from PubChem (CID 138529047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).