4-fluoro-3-methyl-2H-indazole

C8H7FN2 — CID 2804705

IUPAC4-fluoro-3-methyl-2H-indazole
SMILESCc1[nH]nc2cccc(F)c12
InChIInChI=1S/C8H7FN2/c1-5-8-6(9)3-2-4-7(8)11-10-5/h2-4H,1H3,(H,10,11)
InChIKeyPTONAHDKOCUIPS-UHFFFAOYSA-N
MW150.16 g/mol
LogP2.01
Rot. Bonds

About 4-fluoro-3-methyl-2H-indazole

4-fluoro-3-methyl-2H-indazole (PubChem CID 2804705) has the molecular formula C8H7FN2 and a molecular weight of 150.16 g/mol. Its IUPAC name is 4-fluoro-3-methyl-2H-indazole.

Molecular Properties

Compound Name4-fluoro-3-methyl-2H-indazole
PubChem CID2804705
Molecular FormulaC8H7FN2
Molecular Weight150.16 g/mol
Exact Mass150.06
IUPAC Name4-fluoro-3-methyl-2H-indazole
SMILESCc1[nH]nc2cccc(F)c12
InChIInChI=1S/C8H7FN2/c1-5-8-6(9)3-2-4-7(8)11-10-5/h2-4H,1H3,(H,10,11)
InChIKeyPTONAHDKOCUIPS-UHFFFAOYSA-N
XLogP2.01
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.16
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-2H-indazole?
The IUPAC name of 4-fluoro-3-methyl-2H-indazole (CID 2804705) is 4-fluoro-3-methyl-2H-indazole.
What is the SMILES notation for 4-fluoro-3-methyl-2H-indazole?
The canonical SMILES for 4-fluoro-3-methyl-2H-indazole is Cc1[nH]nc2cccc(F)c12.
What is the InChIKey of 4-fluoro-3-methyl-2H-indazole?
The InChIKey is PTONAHDKOCUIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2/c1-5-8-6(9)3-2-4-7(8)11-10-5/h2-4H,1H3,(H,10,11).
What are the key properties of 4-fluoro-3-methyl-2H-indazole?
4-fluoro-3-methyl-2H-indazole has a molecular weight of 150.16 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-2H-indazole is sourced from PubChem (CID 2804705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).