3-fluoro-7-methoxyisoquinoline

C10H8FNO — CID 131700060

IUPAC3-fluoro-7-methoxyisoquinoline
SMILESCOc1ccc2cc(F)ncc2c1
InChIInChI=1S/C10H8FNO/c1-13-9-3-2-7-5-10(11)12-6-8(7)4-9/h2-6H,1H3
InChIKeyYEJZKCHQTOEMAM-UHFFFAOYSA-N
MW177.18 g/mol
LogP2.38
Rot. Bonds1

About 3-fluoro-7-methoxyisoquinoline

3-fluoro-7-methoxyisoquinoline (PubChem CID 131700060) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 3-fluoro-7-methoxyisoquinoline.

Molecular Properties

Compound Name3-fluoro-7-methoxyisoquinoline
PubChem CID131700060
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name3-fluoro-7-methoxyisoquinoline
SMILESCOc1ccc2cc(F)ncc2c1
InChIInChI=1S/C10H8FNO/c1-13-9-3-2-7-5-10(11)12-6-8(7)4-9/h2-6H,1H3
InChIKeyYEJZKCHQTOEMAM-UHFFFAOYSA-N
XLogP2.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-fluoro-7-methoxyisoquinoline 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

3-chloro-7-methoxyisoquinoline
CID 53425565
(7-methoxyisoquinolin-3-yl)methanol
CID 133056400
6-methoxy-2-methylquinazoline
CID 54578216
3-chloro-6-methoxyisoquinoline
CID 53407774
2-fluoro-5-(4-methoxyphenyl)pyridine
CID 26985626
6-methoxy-3-phenylisoquinoline
CID 68806176
3,8-dimethoxy-1,10-phenanthroline
CID 11390810
2-chloro-7-methoxyquinazoline
CID 55251455
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
1-chloro-7-methoxyphthalazine
CID 15271578
5-(6-methoxynaphthalen-2-yl)pyrimidin-2-amine
CID 122237679

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-7-methoxyisoquinoline?
The IUPAC name of 3-fluoro-7-methoxyisoquinoline (CID 131700060) is 3-fluoro-7-methoxyisoquinoline.
What is the SMILES notation for 3-fluoro-7-methoxyisoquinoline?
The canonical SMILES for 3-fluoro-7-methoxyisoquinoline is COc1ccc2cc(F)ncc2c1.
What is the InChIKey of 3-fluoro-7-methoxyisoquinoline?
The InChIKey is YEJZKCHQTOEMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c1-13-9-3-2-7-5-10(11)12-6-8(7)4-9/h2-6H,1H3.
What are the key properties of 3-fluoro-7-methoxyisoquinoline?
3-fluoro-7-methoxyisoquinoline has a molecular weight of 177.18 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-7-methoxyisoquinoline is sourced from PubChem (CID 131700060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).