7-chloro-6-fluoro-5-methylisoquinoline

C10H7ClFN — CID 163886535

IUPAC7-chloro-6-fluoro-5-methylisoquinoline
SMILESCc1c(F)c(Cl)cc2cnccc12
InChIInChI=1S/C10H7ClFN/c1-6-8-2-3-13-5-7(8)4-9(11)10(6)12/h2-5H,1H3
InChIKeyPXUNTJSSVAHSHI-UHFFFAOYSA-N
MW195.62 g/mol
LogP3.34
Rot. Bonds

About 7-chloro-6-fluoro-5-methylisoquinoline

7-chloro-6-fluoro-5-methylisoquinoline (PubChem CID 163886535) has the molecular formula C10H7ClFN and a molecular weight of 195.62 g/mol. Its IUPAC name is 7-chloro-6-fluoro-5-methylisoquinoline.

Molecular Properties

Compound Name7-chloro-6-fluoro-5-methylisoquinoline
PubChem CID163886535
Molecular FormulaC10H7ClFN
Molecular Weight195.62 g/mol
Exact Mass195.03
IUPAC Name7-chloro-6-fluoro-5-methylisoquinoline
SMILESCc1c(F)c(Cl)cc2cnccc12
InChIInChI=1S/C10H7ClFN/c1-6-8-2-3-13-5-7(8)4-9(11)10(6)12/h2-5H,1H3
InChIKeyPXUNTJSSVAHSHI-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 7-chloro-6-fluoro-5-methylisoquinoline?
The IUPAC name of 7-chloro-6-fluoro-5-methylisoquinoline (CID 163886535) is 7-chloro-6-fluoro-5-methylisoquinoline.
What is the SMILES notation for 7-chloro-6-fluoro-5-methylisoquinoline?
The canonical SMILES for 7-chloro-6-fluoro-5-methylisoquinoline is Cc1c(F)c(Cl)cc2cnccc12.
What is the InChIKey of 7-chloro-6-fluoro-5-methylisoquinoline?
The InChIKey is PXUNTJSSVAHSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN/c1-6-8-2-3-13-5-7(8)4-9(11)10(6)12/h2-5H,1H3.
What are the key properties of 7-chloro-6-fluoro-5-methylisoquinoline?
7-chloro-6-fluoro-5-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 7-chloro-6-fluoro-5-methylisoquinoline is sourced from PubChem (CID 163886535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).