7-fluoroisoquinoline-5-carboximidamide

C10H8FN3 — CID 82573360

IUPAC7-fluoroisoquinoline-5-carboximidamide
SMILES[H]/N=C(\N)c1cc(F)cc2cnccc12
InChIInChI=1S/C10H8FN3/c11-7-3-6-5-14-2-1-8(6)9(4-7)10(12)13/h1-5H,(H3,12,13)
InChIKeyCRYFANRCADOJIS-UHFFFAOYSA-N
MW189.19 g/mol
LogP1.66
Rot. Bonds1

About 7-fluoroisoquinoline-5-carboximidamide

7-fluoroisoquinoline-5-carboximidamide (PubChem CID 82573360) has the molecular formula C10H8FN3 and a molecular weight of 189.19 g/mol. Its IUPAC name is 7-fluoroisoquinoline-5-carboximidamide.

Molecular Properties

Compound Name7-fluoroisoquinoline-5-carboximidamide
PubChem CID82573360
Molecular FormulaC10H8FN3
Molecular Weight189.19 g/mol
Exact Mass189.07
IUPAC Name7-fluoroisoquinoline-5-carboximidamide
SMILES[H]/N=C(\N)c1cc(F)cc2cnccc12
InChIInChI=1S/C10H8FN3/c11-7-3-6-5-14-2-1-8(6)9(4-7)10(12)13/h1-5H,(H3,12,13)
InChIKeyCRYFANRCADOJIS-UHFFFAOYSA-N
XLogP1.66
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(5-fluoro-2-methylphenoxy)pyridine-4-carboximidamide
CID 102982094
7-fluoroquinoline-4-carboximidamide
CID 83677826
3-formylpyridine-4-carboximidamide
CID 173421409
3-cyclopropylpyridine-4-carboximidamide
CID 148650231
5-fluoro-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 63290756
5-fluoro-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide
CID 63668335
2-amino-4-fluorobenzenecarboximidamide
CID 140514748
5-fluoro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 63673073
2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide
CID 55233910
1-(7-fluoroisoquinolin-5-yl)propan-2-amine
CID 82577419
3-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide
CID 102747205
2-chloro-4-fluorobenzenecarboximidamide
CID 3626359

Frequently Asked Questions

What is the IUPAC name of 7-fluoroisoquinoline-5-carboximidamide?
The IUPAC name of 7-fluoroisoquinoline-5-carboximidamide (CID 82573360) is 7-fluoroisoquinoline-5-carboximidamide.
What is the SMILES notation for 7-fluoroisoquinoline-5-carboximidamide?
The canonical SMILES for 7-fluoroisoquinoline-5-carboximidamide is [H]/N=C(\N)c1cc(F)cc2cnccc12.
What is the InChIKey of 7-fluoroisoquinoline-5-carboximidamide?
The InChIKey is CRYFANRCADOJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3/c11-7-3-6-5-14-2-1-8(6)9(4-7)10(12)13/h1-5H,(H3,12,13).
What are the key properties of 7-fluoroisoquinoline-5-carboximidamide?
7-fluoroisoquinoline-5-carboximidamide has a molecular weight of 189.19 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoroisoquinoline-5-carboximidamide is sourced from PubChem (CID 82573360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).