(3-fluoro-4-methoxyphenyl)methyl 1H-indazole-3-carboxylate

C16H13FN2O3 — CID 2126218

IUPAC(3-fluoro-4-methoxyphenyl)methyl 1H-indazole-3-carboxylate
SMILESCOc1ccc(COC(=O)c2n[nH]c3ccccc23)cc1F
InChIInChI=1S/C16H13FN2O3/c1-21-14-7-6-10(8-12(14)17)9-22-16(20)15-11-4-2-3-5-13(11)18-19-15/h2-8H,9H2,1H3,(H,18,19)
InChIKeyJGAGCSGFWHGMQC-UHFFFAOYSA-N
MW300.29 g/mol
LogP3.07
Rot. Bonds4

About (3-fluoro-4-methoxyphenyl)methyl 1H-indazole-3-carboxylate

(3-fluoro-4-methoxyphenyl)methyl 1H-indazole-3-carboxylate (PubChem CID 2126218) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)methyl 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)methyl 1H-indazole-3-carboxylate
PubChem CID2126218
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name(3-fluoro-4-methoxyphenyl)methyl 1H-indazole-3-carboxylate
SMILESCOc1ccc(COC(=O)c2n[nH]c3ccccc23)cc1F
InChIInChI=1S/C16H13FN2O3/c1-21-14-7-6-10(8-12(14)17)9-22-16(20)15-11-4-2-3-5-13(11)18-19-15/h2-8H,9H2,1H3,(H,18,19)
InChIKeyJGAGCSGFWHGMQC-UHFFFAOYSA-N
XLogP3.07
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 1H-indazole-3-carboxylate?
The IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 1H-indazole-3-carboxylate (CID 2126218) is (3-fluoro-4-methoxyphenyl)methyl 1H-indazole-3-carboxylate.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)methyl 1H-indazole-3-carboxylate?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)methyl 1H-indazole-3-carboxylate is COc1ccc(COC(=O)c2n[nH]c3ccccc23)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)methyl 1H-indazole-3-carboxylate?
The InChIKey is JGAGCSGFWHGMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c1-21-14-7-6-10(8-12(14)17)9-22-16(20)15-11-4-2-3-5-13(11)18-19-15/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of (3-fluoro-4-methoxyphenyl)methyl 1H-indazole-3-carboxylate?
(3-fluoro-4-methoxyphenyl)methyl 1H-indazole-3-carboxylate has a molecular weight of 300.29 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)methyl 1H-indazole-3-carboxylate is sourced from PubChem (CID 2126218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).