4-fluoro-2-methylindazole-3-carboximidamide

C9H9FN4 — CID 84719847

IUPAC4-fluoro-2-methylindazole-3-carboximidamide
SMILES[H]/N=C(\N)c1c2c(F)cccc2nn1C
InChIInChI=1S/C9H9FN4/c1-14-8(9(11)12)7-5(10)3-2-4-6(7)13-14/h2-4H,1H3,(H3,11,12)
InChIKeyCEPSETXLTZBPBV-UHFFFAOYSA-N
MW192.20 g/mol
LogP1.00
Rot. Bonds1

About 4-fluoro-2-methylindazole-3-carboximidamide

4-fluoro-2-methylindazole-3-carboximidamide (PubChem CID 84719847) has the molecular formula C9H9FN4 and a molecular weight of 192.20 g/mol. Its IUPAC name is 4-fluoro-2-methylindazole-3-carboximidamide.

Molecular Properties

Compound Name4-fluoro-2-methylindazole-3-carboximidamide
PubChem CID84719847
Molecular FormulaC9H9FN4
Molecular Weight192.20 g/mol
Exact Mass192.08
IUPAC Name4-fluoro-2-methylindazole-3-carboximidamide
SMILES[H]/N=C(\N)c1c2c(F)cccc2nn1C
InChIInChI=1S/C9H9FN4/c1-14-8(9(11)12)7-5(10)3-2-4-6(7)13-14/h2-4H,1H3,(H3,11,12)
InChIKeyCEPSETXLTZBPBV-UHFFFAOYSA-N
XLogP1.00
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methylindazole-3-carboximidamide?
The IUPAC name of 4-fluoro-2-methylindazole-3-carboximidamide (CID 84719847) is 4-fluoro-2-methylindazole-3-carboximidamide.
What is the SMILES notation for 4-fluoro-2-methylindazole-3-carboximidamide?
The canonical SMILES for 4-fluoro-2-methylindazole-3-carboximidamide is [H]/N=C(\N)c1c2c(F)cccc2nn1C.
What is the InChIKey of 4-fluoro-2-methylindazole-3-carboximidamide?
The InChIKey is CEPSETXLTZBPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4/c1-14-8(9(11)12)7-5(10)3-2-4-6(7)13-14/h2-4H,1H3,(H3,11,12).
What are the key properties of 4-fluoro-2-methylindazole-3-carboximidamide?
4-fluoro-2-methylindazole-3-carboximidamide has a molecular weight of 192.20 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methylindazole-3-carboximidamide is sourced from PubChem (CID 84719847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).