methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate

C17H14FN3O2 — CID 59797024

IUPACmethyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate
SMILESCOC(=O)c1cc2c(/C=C/c3cccnc3)nn(C)c2cc1F
InChIInChI=1S/C17H14FN3O2/c1-21-16-9-14(18)12(17(22)23-2)8-13(16)15(20-21)6-5-11-4-3-7-19-10-11/h3-10H,1-2H3/b6-5+
InChIKeyQRUSVECIBURWPM-AATRIKPKSA-N
MW311.32 g/mol
LogP3.06
Rot. Bonds3

About methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate

methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate (PubChem CID 59797024) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate
PubChem CID59797024
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Namemethyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate
SMILESCOC(=O)c1cc2c(/C=C/c3cccnc3)nn(C)c2cc1F
InChIInChI=1S/C17H14FN3O2/c1-21-16-9-14(18)12(17(22)23-2)8-13(16)15(20-21)6-5-11-4-3-7-19-10-11/h3-10H,1-2H3/b6-5+
InChIKeyQRUSVECIBURWPM-AATRIKPKSA-N
XLogP3.06
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate?
The IUPAC name of methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate (CID 59797024) is methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate.
What is the SMILES notation for methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate?
The canonical SMILES for methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate is COC(=O)c1cc2c(/C=C/c3cccnc3)nn(C)c2cc1F.
What is the InChIKey of methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate?
The InChIKey is QRUSVECIBURWPM-AATRIKPKSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-21-16-9-14(18)12(17(22)23-2)8-13(16)15(20-21)6-5-11-4-3-7-19-10-11/h3-10H,1-2H3/b6-5+.
What are the key properties of methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate?
methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate has a molecular weight of 311.32 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate is sourced from PubChem (CID 59797024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).