methyl 6-fluoro-2-methylindazole-4-carboxylate

C10H9FN2O2 — CID 121232242

IUPACmethyl 6-fluoro-2-methylindazole-4-carboxylate
SMILESCOC(=O)c1cc(F)cc2nn(C)cc12
InChIInChI=1S/C10H9FN2O2/c1-13-5-8-7(10(14)15-2)3-6(11)4-9(8)12-13/h3-5H,1-2H3
InChIKeyADYSQYVCPRJBGW-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.50
Rot. Bonds1

About methyl 6-fluoro-2-methylindazole-4-carboxylate

methyl 6-fluoro-2-methylindazole-4-carboxylate (PubChem CID 121232242) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is methyl 6-fluoro-2-methylindazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-2-methylindazole-4-carboxylate
PubChem CID121232242
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Namemethyl 6-fluoro-2-methylindazole-4-carboxylate
SMILESCOC(=O)c1cc(F)cc2nn(C)cc12
InChIInChI=1S/C10H9FN2O2/c1-13-5-8-7(10(14)15-2)3-6(11)4-9(8)12-13/h3-5H,1-2H3
InChIKeyADYSQYVCPRJBGW-UHFFFAOYSA-N
XLogP1.50
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-fluoro-2-methylindazole-6-carboxylate
CID 121231598
methyl 6-bromo-2-(1,2,2-trifluoroethyl)indazole-4-carboxylate
CID 175345200
dimethyl 5-fluoro-2-methylbenzene-1,3-dicarboxylate
CID 10922200
methyl 1,3-dimethylpyrazole-4-carboxylate
CID 12654287
methyl 2,5-difluoro-3-methoxybenzoate
CID 130786948
methyl 6-fluoroisoquinoline-8-carboxylate
CID 122163275
methyl 3,5-difluoro-2-methylbenzoate
CID 74890536
methyl 2-chloro-6-fluoroquinoline-4-carboxylate
CID 50742482
methyl 3-cyano-5-fluoro-2-methoxybenzoate
CID 134647232
methyl 6-fluoro-1H-indole-4-carboxylate
CID 46835634
methyl 3-chloro-2,5-difluorobenzoate
CID 79018120
methyl 2,3-dichloro-5-fluorobenzoate
CID 121228327

Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-2-methylindazole-4-carboxylate?
The IUPAC name of methyl 6-fluoro-2-methylindazole-4-carboxylate (CID 121232242) is methyl 6-fluoro-2-methylindazole-4-carboxylate.
What is the SMILES notation for methyl 6-fluoro-2-methylindazole-4-carboxylate?
The canonical SMILES for methyl 6-fluoro-2-methylindazole-4-carboxylate is COC(=O)c1cc(F)cc2nn(C)cc12.
What is the InChIKey of methyl 6-fluoro-2-methylindazole-4-carboxylate?
The InChIKey is ADYSQYVCPRJBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-13-5-8-7(10(14)15-2)3-6(11)4-9(8)12-13/h3-5H,1-2H3.
What are the key properties of methyl 6-fluoro-2-methylindazole-4-carboxylate?
methyl 6-fluoro-2-methylindazole-4-carboxylate has a molecular weight of 208.19 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-2-methylindazole-4-carboxylate is sourced from PubChem (CID 121232242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).