5,7-dichloro-3-methylisoquinoline

C10H7Cl2N — CID 169499833

IUPAC5,7-dichloro-3-methylisoquinoline
SMILESCc1cc2c(Cl)cc(Cl)cc2cn1
InChIInChI=1S/C10H7Cl2N/c1-6-2-9-7(5-13-6)3-8(11)4-10(9)12/h2-5H,1H3
InChIKeyXRHZSUSEJSYILC-UHFFFAOYSA-N
MW212.08 g/mol
LogP3.85
Rot. Bonds

About 5,7-dichloro-3-methylisoquinoline

5,7-dichloro-3-methylisoquinoline (PubChem CID 169499833) has the molecular formula C10H7Cl2N and a molecular weight of 212.08 g/mol. Its IUPAC name is 5,7-dichloro-3-methylisoquinoline.

Molecular Properties

Compound Name5,7-dichloro-3-methylisoquinoline
PubChem CID169499833
Molecular FormulaC10H7Cl2N
Molecular Weight212.08 g/mol
Exact Mass211.00
IUPAC Name5,7-dichloro-3-methylisoquinoline
SMILESCc1cc2c(Cl)cc(Cl)cc2cn1
InChIInChI=1S/C10H7Cl2N/c1-6-2-9-7(5-13-6)3-8(11)4-10(9)12/h2-5H,1H3
InChIKeyXRHZSUSEJSYILC-UHFFFAOYSA-N
XLogP3.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.08
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-methylisoquinoline?
The IUPAC name of 5,7-dichloro-3-methylisoquinoline (CID 169499833) is 5,7-dichloro-3-methylisoquinoline.
What is the SMILES notation for 5,7-dichloro-3-methylisoquinoline?
The canonical SMILES for 5,7-dichloro-3-methylisoquinoline is Cc1cc2c(Cl)cc(Cl)cc2cn1.
What is the InChIKey of 5,7-dichloro-3-methylisoquinoline?
The InChIKey is XRHZSUSEJSYILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N/c1-6-2-9-7(5-13-6)3-8(11)4-10(9)12/h2-5H,1H3.
What are the key properties of 5,7-dichloro-3-methylisoquinoline?
5,7-dichloro-3-methylisoquinoline has a molecular weight of 212.08 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-methylisoquinoline is sourced from PubChem (CID 169499833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).