methyl 6-fluoroisoquinoline-8-carboxylate

C11H8FNO2 — CID 122163275

IUPACmethyl 6-fluoroisoquinoline-8-carboxylate
SMILESCOC(=O)c1cc(F)cc2ccncc12
InChIInChI=1S/C11H8FNO2/c1-15-11(14)9-5-8(12)4-7-2-3-13-6-10(7)9/h2-6H,1H3
InChIKeyZOKHMAZZCLPADH-UHFFFAOYSA-N
MW205.19 g/mol
LogP2.16
Rot. Bonds1

About methyl 6-fluoroisoquinoline-8-carboxylate

methyl 6-fluoroisoquinoline-8-carboxylate (PubChem CID 122163275) has the molecular formula C11H8FNO2 and a molecular weight of 205.19 g/mol. Its IUPAC name is methyl 6-fluoroisoquinoline-8-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoroisoquinoline-8-carboxylate
PubChem CID122163275
Molecular FormulaC11H8FNO2
Molecular Weight205.19 g/mol
Exact Mass205.05
IUPAC Namemethyl 6-fluoroisoquinoline-8-carboxylate
SMILESCOC(=O)c1cc(F)cc2ccncc12
InChIInChI=1S/C11H8FNO2/c1-15-11(14)9-5-8(12)4-7-2-3-13-6-10(7)9/h2-6H,1H3
InChIKeyZOKHMAZZCLPADH-UHFFFAOYSA-N
XLogP2.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 6-fluoroisoquinoline-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-fluoropyridine-3-carboxylate
CID 46311150
6-fluoro-N-methyl-N-(1H-pyrazol-4-yl)isoquinoline-8-carboxamide
CID 167816898
dimethyl 5-fluoro-2-methylbenzene-1,3-dicarboxylate
CID 10922200
methyl 5-acetylisoquinoline-8-carboxylate
CID 146443452
methyl 8-methylisoquinoline-5-carboxylate
CID 82574567
methyl 4-methylpyridine-3-carboxylate
CID 10877301
methyl 6-fluoro-1H-indole-4-carboxylate
CID 46835634
methyl 2-chloro-6-fluoroquinoline-4-carboxylate
CID 50742482
methyl 3-chloropyridine-4-carboxylate
CID 15324397
tetramethyl pyridine-2,3,5,6-tetracarboxylate
CID 767414
methyl 4-(difluoromethyl)pyridine-3-carboxylate
CID 97181391
(6-fluoroisoquinolin-8-yl)methanamine
CID 125449937

Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoroisoquinoline-8-carboxylate?
The IUPAC name of methyl 6-fluoroisoquinoline-8-carboxylate (CID 122163275) is methyl 6-fluoroisoquinoline-8-carboxylate.
What is the SMILES notation for methyl 6-fluoroisoquinoline-8-carboxylate?
The canonical SMILES for methyl 6-fluoroisoquinoline-8-carboxylate is COC(=O)c1cc(F)cc2ccncc12.
What is the InChIKey of methyl 6-fluoroisoquinoline-8-carboxylate?
The InChIKey is ZOKHMAZZCLPADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2/c1-15-11(14)9-5-8(12)4-7-2-3-13-6-10(7)9/h2-6H,1H3.
What are the key properties of methyl 6-fluoroisoquinoline-8-carboxylate?
methyl 6-fluoroisoquinoline-8-carboxylate has a molecular weight of 205.19 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoroisoquinoline-8-carboxylate is sourced from PubChem (CID 122163275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).