6-fluoro-7-methoxy-4-methyl-1H-indazole

C9H9FN2O — CID 142488492

IUPAC6-fluoro-7-methoxy-4-methyl-1H-indazole
SMILESCOc1c(F)cc(C)c2cn[nH]c12
InChIInChI=1S/C9H9FN2O/c1-5-3-7(10)9(13-2)8-6(5)4-11-12-8/h3-4H,1-2H3,(H,11,12)
InChIKeyICTYPOHNNDTCJO-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.02
Rot. Bonds1

About 6-fluoro-7-methoxy-4-methyl-1H-indazole

6-fluoro-7-methoxy-4-methyl-1H-indazole (PubChem CID 142488492) has the molecular formula C9H9FN2O and a molecular weight of 180.18 g/mol. Its IUPAC name is 6-fluoro-7-methoxy-4-methyl-1H-indazole.

Molecular Properties

Compound Name6-fluoro-7-methoxy-4-methyl-1H-indazole
PubChem CID142488492
Molecular FormulaC9H9FN2O
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name6-fluoro-7-methoxy-4-methyl-1H-indazole
SMILESCOc1c(F)cc(C)c2cn[nH]c12
InChIInChI=1S/C9H9FN2O/c1-5-3-7(10)9(13-2)8-6(5)4-11-12-8/h3-4H,1-2H3,(H,11,12)
InChIKeyICTYPOHNNDTCJO-UHFFFAOYSA-N
XLogP2.02
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-methoxy-4-methyl-1H-indazole?
The IUPAC name of 6-fluoro-7-methoxy-4-methyl-1H-indazole (CID 142488492) is 6-fluoro-7-methoxy-4-methyl-1H-indazole.
What is the SMILES notation for 6-fluoro-7-methoxy-4-methyl-1H-indazole?
The canonical SMILES for 6-fluoro-7-methoxy-4-methyl-1H-indazole is COc1c(F)cc(C)c2cn[nH]c12.
What is the InChIKey of 6-fluoro-7-methoxy-4-methyl-1H-indazole?
The InChIKey is ICTYPOHNNDTCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O/c1-5-3-7(10)9(13-2)8-6(5)4-11-12-8/h3-4H,1-2H3,(H,11,12).
What are the key properties of 6-fluoro-7-methoxy-4-methyl-1H-indazole?
6-fluoro-7-methoxy-4-methyl-1H-indazole has a molecular weight of 180.18 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-methoxy-4-methyl-1H-indazole is sourced from PubChem (CID 142488492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).