5-chloro-8-fluoro-3-methylisoquinoline

C10H7ClFN — CID 169494899

IUPAC5-chloro-8-fluoro-3-methylisoquinoline
SMILESCc1cc2c(Cl)ccc(F)c2cn1
InChIInChI=1S/C10H7ClFN/c1-6-4-7-8(5-13-6)10(12)3-2-9(7)11/h2-5H,1H3
InChIKeyOSHQVHHZFUCZPL-UHFFFAOYSA-N
MW195.62 g/mol
LogP3.34
Rot. Bonds

About 5-chloro-8-fluoro-3-methylisoquinoline

5-chloro-8-fluoro-3-methylisoquinoline (PubChem CID 169494899) has the molecular formula C10H7ClFN and a molecular weight of 195.62 g/mol. Its IUPAC name is 5-chloro-8-fluoro-3-methylisoquinoline.

Molecular Properties

Compound Name5-chloro-8-fluoro-3-methylisoquinoline
PubChem CID169494899
Molecular FormulaC10H7ClFN
Molecular Weight195.62 g/mol
Exact Mass195.03
IUPAC Name5-chloro-8-fluoro-3-methylisoquinoline
SMILESCc1cc2c(Cl)ccc(F)c2cn1
InChIInChI=1S/C10H7ClFN/c1-6-4-7-8(5-13-6)10(12)3-2-9(7)11/h2-5H,1H3
InChIKeyOSHQVHHZFUCZPL-UHFFFAOYSA-N
XLogP3.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.62
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-fluoro-3-methylisoquinoline?
The IUPAC name of 5-chloro-8-fluoro-3-methylisoquinoline (CID 169494899) is 5-chloro-8-fluoro-3-methylisoquinoline.
What is the SMILES notation for 5-chloro-8-fluoro-3-methylisoquinoline?
The canonical SMILES for 5-chloro-8-fluoro-3-methylisoquinoline is Cc1cc2c(Cl)ccc(F)c2cn1.
What is the InChIKey of 5-chloro-8-fluoro-3-methylisoquinoline?
The InChIKey is OSHQVHHZFUCZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN/c1-6-4-7-8(5-13-6)10(12)3-2-9(7)11/h2-5H,1H3.
What are the key properties of 5-chloro-8-fluoro-3-methylisoquinoline?
5-chloro-8-fluoro-3-methylisoquinoline has a molecular weight of 195.62 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-fluoro-3-methylisoquinoline is sourced from PubChem (CID 169494899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).