3-fluoro-8-methylbenzo[f][1,7]naphthyridine

C13H9FN2 — CID 141377178

IUPAC3-fluoro-8-methylbenzo[f][1,7]naphthyridine
SMILESCc1ccc2c(c1)ncc1nc(F)ccc12
InChIInChI=1S/C13H9FN2/c1-8-2-3-9-10-4-5-13(14)16-12(10)7-15-11(9)6-8/h2-7H,1H3
InChIKeyYLDVPSAXDZOATA-UHFFFAOYSA-N
MW212.23 g/mol
LogP3.23
Rot. Bonds

About 3-fluoro-8-methylbenzo[f][1,7]naphthyridine

3-fluoro-8-methylbenzo[f][1,7]naphthyridine (PubChem CID 141377178) has the molecular formula C13H9FN2 and a molecular weight of 212.23 g/mol. Its IUPAC name is 3-fluoro-8-methylbenzo[f][1,7]naphthyridine.

Molecular Properties

Compound Name3-fluoro-8-methylbenzo[f][1,7]naphthyridine
PubChem CID141377178
Molecular FormulaC13H9FN2
Molecular Weight212.23 g/mol
Exact Mass212.07
IUPAC Name3-fluoro-8-methylbenzo[f][1,7]naphthyridine
SMILESCc1ccc2c(c1)ncc1nc(F)ccc12
InChIInChI=1S/C13H9FN2/c1-8-2-3-9-10-4-5-13(14)16-12(10)7-15-11(9)6-8/h2-7H,1H3
InChIKeyYLDVPSAXDZOATA-UHFFFAOYSA-N
XLogP3.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-7-methylquinoxaline
CID 10678555
4-tert-butyl-3-fluoro-7-methylquinoline
CID 105471465
2-fluoro-5-methylpyridine
CID 2774635
4-tert-butyl-7-methylquinolin-3-amine
CID 105468035
9-methylphenanthridine
CID 10987123
chloromethane;2-fluoro-6,7-dimethylquinoline
CID 145498420
2,7-dimethylquinoxaline;ethane
CID 142320596
2-fluoro-6,7-dimethylquinoxaline
CID 10654851
2-(1,3-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine
CID 54113994
(7-methylquinolin-4-yl)azanide;uranium
CID 58700269
(4-tert-butyl-7-methylquinolin-3-yl)methanamine
CID 105485981
4-(4-fluoro-2,3,5-trimethylphenyl)-3,7-dimethylquinazolin-3-ium
CID 123933002

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-8-methylbenzo[f][1,7]naphthyridine?
The IUPAC name of 3-fluoro-8-methylbenzo[f][1,7]naphthyridine (CID 141377178) is 3-fluoro-8-methylbenzo[f][1,7]naphthyridine.
What is the SMILES notation for 3-fluoro-8-methylbenzo[f][1,7]naphthyridine?
The canonical SMILES for 3-fluoro-8-methylbenzo[f][1,7]naphthyridine is Cc1ccc2c(c1)ncc1nc(F)ccc12.
What is the InChIKey of 3-fluoro-8-methylbenzo[f][1,7]naphthyridine?
The InChIKey is YLDVPSAXDZOATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2/c1-8-2-3-9-10-4-5-13(14)16-12(10)7-15-11(9)6-8/h2-7H,1H3.
What are the key properties of 3-fluoro-8-methylbenzo[f][1,7]naphthyridine?
3-fluoro-8-methylbenzo[f][1,7]naphthyridine has a molecular weight of 212.23 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-8-methylbenzo[f][1,7]naphthyridine is sourced from PubChem (CID 141377178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).