4,7-dichloroisoquinolin-1-amine

C9H6Cl2N2 — CID 133054133

IUPAC4,7-dichloroisoquinolin-1-amine
SMILESNc1ncc(Cl)c2ccc(Cl)cc12
InChIInChI=1S/C9H6Cl2N2/c10-5-1-2-6-7(3-5)9(12)13-4-8(6)11/h1-4H,(H2,12,13)
InChIKeyFWZHFHLVVMQLLA-UHFFFAOYSA-N
MW213.07 g/mol
LogP3.12
Rot. Bonds

About 4,7-dichloroisoquinolin-1-amine

4,7-dichloroisoquinolin-1-amine (PubChem CID 133054133) has the molecular formula C9H6Cl2N2 and a molecular weight of 213.07 g/mol. Its IUPAC name is 4,7-dichloroisoquinolin-1-amine.

Molecular Properties

Compound Name4,7-dichloroisoquinolin-1-amine
PubChem CID133054133
Molecular FormulaC9H6Cl2N2
Molecular Weight213.07 g/mol
Exact Mass211.99
IUPAC Name4,7-dichloroisoquinolin-1-amine
SMILESNc1ncc(Cl)c2ccc(Cl)cc12
InChIInChI=1S/C9H6Cl2N2/c10-5-1-2-6-7(3-5)9(12)13-4-8(6)11/h1-4H,(H2,12,13)
InChIKeyFWZHFHLVVMQLLA-UHFFFAOYSA-N
XLogP3.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-dichloroisoquinolin-1-amine?
The IUPAC name of 4,7-dichloroisoquinolin-1-amine (CID 133054133) is 4,7-dichloroisoquinolin-1-amine.
What is the SMILES notation for 4,7-dichloroisoquinolin-1-amine?
The canonical SMILES for 4,7-dichloroisoquinolin-1-amine is Nc1ncc(Cl)c2ccc(Cl)cc12.
What is the InChIKey of 4,7-dichloroisoquinolin-1-amine?
The InChIKey is FWZHFHLVVMQLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2/c10-5-1-2-6-7(3-5)9(12)13-4-8(6)11/h1-4H,(H2,12,13).
What are the key properties of 4,7-dichloroisoquinolin-1-amine?
4,7-dichloroisoquinolin-1-amine has a molecular weight of 213.07 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloroisoquinolin-1-amine is sourced from PubChem (CID 133054133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).