7-fluoro-2-methyl-1H-isoquinoline

C10H10FN — CID 118025213

IUPAC7-fluoro-2-methyl-1H-isoquinoline
SMILESCN1C=Cc2ccc(F)cc2C1
InChIInChI=1S/C10H10FN/c1-12-5-4-8-2-3-10(11)6-9(8)7-12/h2-6H,7H2,1H3
InChIKeyONWCGIYEKGUICY-UHFFFAOYSA-N
MW163.19 g/mol
LogP2.24
Rot. Bonds

About 7-fluoro-2-methyl-1H-isoquinoline

7-fluoro-2-methyl-1H-isoquinoline (PubChem CID 118025213) has the molecular formula C10H10FN and a molecular weight of 163.19 g/mol. Its IUPAC name is 7-fluoro-2-methyl-1H-isoquinoline.

Molecular Properties

Compound Name7-fluoro-2-methyl-1H-isoquinoline
PubChem CID118025213
Molecular FormulaC10H10FN
Molecular Weight163.19 g/mol
Exact Mass163.08
IUPAC Name7-fluoro-2-methyl-1H-isoquinoline
SMILESCN1C=Cc2ccc(F)cc2C1
InChIInChI=1S/C10H10FN/c1-12-5-4-8-2-3-10(11)6-9(8)7-12/h2-6H,7H2,1H3
InChIKeyONWCGIYEKGUICY-UHFFFAOYSA-N
XLogP2.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-1H-isoquinoline?
The IUPAC name of 7-fluoro-2-methyl-1H-isoquinoline (CID 118025213) is 7-fluoro-2-methyl-1H-isoquinoline.
What is the SMILES notation for 7-fluoro-2-methyl-1H-isoquinoline?
The canonical SMILES for 7-fluoro-2-methyl-1H-isoquinoline is CN1C=Cc2ccc(F)cc2C1.
What is the InChIKey of 7-fluoro-2-methyl-1H-isoquinoline?
The InChIKey is ONWCGIYEKGUICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN/c1-12-5-4-8-2-3-10(11)6-9(8)7-12/h2-6H,7H2,1H3.
What are the key properties of 7-fluoro-2-methyl-1H-isoquinoline?
7-fluoro-2-methyl-1H-isoquinoline has a molecular weight of 163.19 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-1H-isoquinoline is sourced from PubChem (CID 118025213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).