5-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline

C12H6FN3 — CID 58517633

IUPAC5-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline
SMILES[C-]#[N+]c1cccc2c1cc(F)n1ccnc21
InChIInChI=1S/C12H6FN3/c1-14-10-4-2-3-8-9(10)7-11(13)16-6-5-15-12(8)16/h2-7H
InChIKeyBNNZYFXMQPBBKY-UHFFFAOYSA-N
MW211.20 g/mol
LogP3.18
Rot. Bonds

About 5-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline

5-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline (PubChem CID 58517633) has the molecular formula C12H6FN3 and a molecular weight of 211.20 g/mol. Its IUPAC name is 5-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name5-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline
PubChem CID58517633
Molecular FormulaC12H6FN3
Molecular Weight211.20 g/mol
Exact Mass211.05
IUPAC Name5-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline
SMILES[C-]#[N+]c1cccc2c1cc(F)n1ccnc21
InChIInChI=1S/C12H6FN3/c1-14-10-4-2-3-8-9(10)7-11(13)16-6-5-15-12(8)16/h2-7H
InChIKeyBNNZYFXMQPBBKY-UHFFFAOYSA-N
XLogP3.18
TPSA21.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline
CID 58517685
8,10-difluoroimidazo[1,2-f]phenanthridine
CID 140584990
5-isocyanoimidazo[2,1-a]isoquinoline-8-carbonitrile
CID 58517472
9-fluoro-5-isocyanobenzimidazolo[2,1-a]isoquinoline
CID 58517708
imidazo[1,2-f]phenanthridin-7-amine
CID 138528854
3,6,8,16-tetrazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),2,4,7(12),8,10,14,16,18,20-decaene
CID 140948921
7,10-dimethylimidazo[1,2-f]phenanthridine
CID 58943988
6-(3-fluorophenyl)-5-(8-isocyanoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine
CID 155642592
5,8-dimethylimidazo[1,2-f]phenanthridine
CID 58162818
(5E,6Z)-5,6-di(ethylidene)imidazo[2,1-a]isoquinoline
CID 126693619
7-chloroimidazo[2,1-a]isoquinoline
CID 58517958
16-methyl-3,6,8,16,18-pentazapentacyclo[11.7.0.02,6.07,12.015,19]icosa-1(20),2,4,7(12),8,10,13,15(19),17-nonaene
CID 140951121

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline?
The IUPAC name of 5-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline (CID 58517633) is 5-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 5-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline?
The canonical SMILES for 5-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline is [C-]#[N+]c1cccc2c1cc(F)n1ccnc21.
What is the InChIKey of 5-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline?
The InChIKey is BNNZYFXMQPBBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6FN3/c1-14-10-4-2-3-8-9(10)7-11(13)16-6-5-15-12(8)16/h2-7H.
What are the key properties of 5-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline?
5-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline has a molecular weight of 211.20 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 58517633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).