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

C10H9FN2O2 — CID 121231598

IUPACmethyl 4-fluoro-2-methylindazole-6-carboxylate
SMILESCOC(=O)c1cc(F)c2cn(C)nc2c1
InChIInChI=1S/C10H9FN2O2/c1-13-5-7-8(11)3-6(10(14)15-2)4-9(7)12-13/h3-5H,1-2H3
InChIKeyBOMAZNBKBCMNTM-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.50
Rot. Bonds1

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

methyl 4-fluoro-2-methylindazole-6-carboxylate (PubChem CID 121231598) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is methyl 4-fluoro-2-methylindazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-fluoro-2-methylindazole-6-carboxylate
PubChem CID121231598
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Namemethyl 4-fluoro-2-methylindazole-6-carboxylate
SMILESCOC(=O)c1cc(F)c2cn(C)nc2c1
InChIInChI=1S/C10H9FN2O2/c1-13-5-7-8(11)3-6(10(14)15-2)4-9(7)12-13/h3-5H,1-2H3
InChIKeyBOMAZNBKBCMNTM-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 6-fluoro-2-methylindazole-4-carboxylate
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methyl 4-butoxy-3,5-difluorobenzoate
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methyl 3-fluoro-5-hydroxy-4-methylbenzoate
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methyl 3-fluoro-5-formamido-4-methoxybenzoate
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methyl 2-(4-bromo-2-fluorophenyl)-4-phenylindazole-6-carboxylate
CID 155325122
methyl 2-(cyclopropylmethylamino)-5-fluoroquinazoline-7-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-2-methylindazole-6-carboxylate?
The IUPAC name of methyl 4-fluoro-2-methylindazole-6-carboxylate (CID 121231598) is methyl 4-fluoro-2-methylindazole-6-carboxylate.
What is the SMILES notation for methyl 4-fluoro-2-methylindazole-6-carboxylate?
The canonical SMILES for methyl 4-fluoro-2-methylindazole-6-carboxylate is COC(=O)c1cc(F)c2cn(C)nc2c1.
What is the InChIKey of methyl 4-fluoro-2-methylindazole-6-carboxylate?
The InChIKey is BOMAZNBKBCMNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-13-5-7-8(11)3-6(10(14)15-2)4-9(7)12-13/h3-5H,1-2H3.
What are the key properties of methyl 4-fluoro-2-methylindazole-6-carboxylate?
methyl 4-fluoro-2-methylindazole-6-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 4-fluoro-2-methylindazole-6-carboxylate is sourced from PubChem (CID 121231598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).