(4-bromo-2-fluorophenyl)methyl 1H-indazole-3-carboxylate

C15H10BrFN2O2 — CID 4804236

IUPAC(4-bromo-2-fluorophenyl)methyl 1H-indazole-3-carboxylate
SMILESO=C(OCc1ccc(Br)cc1F)c1n[nH]c2ccccc12
InChIInChI=1S/C15H10BrFN2O2/c16-10-6-5-9(12(17)7-10)8-21-15(20)14-11-3-1-2-4-13(11)18-19-14/h1-7H,8H2,(H,18,19)
InChIKeyWXOTVAIKAFBBDP-UHFFFAOYSA-N
MW349.16 g/mol
LogP3.82
Rot. Bonds3

About (4-bromo-2-fluorophenyl)methyl 1H-indazole-3-carboxylate

(4-bromo-2-fluorophenyl)methyl 1H-indazole-3-carboxylate (PubChem CID 4804236) has the molecular formula C15H10BrFN2O2 and a molecular weight of 349.16 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)methyl 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)methyl 1H-indazole-3-carboxylate
PubChem CID4804236
Molecular FormulaC15H10BrFN2O2
Molecular Weight349.16 g/mol
Exact Mass347.99
IUPAC Name(4-bromo-2-fluorophenyl)methyl 1H-indazole-3-carboxylate
SMILESO=C(OCc1ccc(Br)cc1F)c1n[nH]c2ccccc12
InChIInChI=1S/C15H10BrFN2O2/c16-10-6-5-9(12(17)7-10)8-21-15(20)14-11-3-1-2-4-13(11)18-19-14/h1-7H,8H2,(H,18,19)
InChIKeyWXOTVAIKAFBBDP-UHFFFAOYSA-N
XLogP3.82
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2-fluorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 8853363
(5-acetyl-2-methoxyphenyl)methyl 1H-indazole-3-carboxylate
CID 2636122
[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1H-indazole-3-carboxylate
CID 16525618
[2-(carbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2626910
[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 16525603
[2-(diethylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534560
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 4792568
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 1H-indazole-3-carboxylate
CID 7956387
(4-bromo-2-fluorophenyl)methyl 4-amino-3-methylbenzoate
CID 61320680
[2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534563
(4-bromo-2-fluorophenyl)methyl 5-amino-2,4-dimethylbenzoate
CID 102706123
2-O-[(4-bromo-2-fluorophenyl)methyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7278355

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)methyl 1H-indazole-3-carboxylate?
The IUPAC name of (4-bromo-2-fluorophenyl)methyl 1H-indazole-3-carboxylate (CID 4804236) is (4-bromo-2-fluorophenyl)methyl 1H-indazole-3-carboxylate.
What is the SMILES notation for (4-bromo-2-fluorophenyl)methyl 1H-indazole-3-carboxylate?
The canonical SMILES for (4-bromo-2-fluorophenyl)methyl 1H-indazole-3-carboxylate is O=C(OCc1ccc(Br)cc1F)c1n[nH]c2ccccc12.
What is the InChIKey of (4-bromo-2-fluorophenyl)methyl 1H-indazole-3-carboxylate?
The InChIKey is WXOTVAIKAFBBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O2/c16-10-6-5-9(12(17)7-10)8-21-15(20)14-11-3-1-2-4-13(11)18-19-14/h1-7H,8H2,(H,18,19).
What are the key properties of (4-bromo-2-fluorophenyl)methyl 1H-indazole-3-carboxylate?
(4-bromo-2-fluorophenyl)methyl 1H-indazole-3-carboxylate has a molecular weight of 349.16 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)methyl 1H-indazole-3-carboxylate is sourced from PubChem (CID 4804236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).