(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-fluoroindazol-3-yl)methanone

C16H11Br2FN2O2 — CID 139329678

IUPAC(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-fluoroindazol-3-yl)methanone
SMILESCCn1nc2ccc(F)cc2c1C(=O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C16H11Br2FN2O2/c1-2-21-14(10-7-9(19)3-4-13(10)20-21)15(22)8-5-11(17)16(23)12(18)6-8/h3-7,23H,2H2,1H3
InChIKeyQDMPRAKKWVSMFX-UHFFFAOYSA-N
MW442.08 g/mol
LogP4.66
Rot. Bonds3

About (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-fluoroindazol-3-yl)methanone

(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-fluoroindazol-3-yl)methanone (PubChem CID 139329678) has the molecular formula C16H11Br2FN2O2 and a molecular weight of 442.08 g/mol. Its IUPAC name is (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-fluoroindazol-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-fluoroindazol-3-yl)methanone
PubChem CID139329678
Molecular FormulaC16H11Br2FN2O2
Molecular Weight442.08 g/mol
Exact Mass439.92
IUPAC Name(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-fluoroindazol-3-yl)methanone
SMILESCCn1nc2ccc(F)cc2c1C(=O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C16H11Br2FN2O2/c1-2-21-14(10-7-9(19)3-4-13(10)20-21)15(22)8-5-11(17)16(23)12(18)6-8/h3-7,23H,2H2,1H3
InChIKeyQDMPRAKKWVSMFX-UHFFFAOYSA-N
XLogP4.66
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.08
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-fluoroindazol-3-yl)methanone?
The IUPAC name of (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-fluoroindazol-3-yl)methanone (CID 139329678) is (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-fluoroindazol-3-yl)methanone.
What is the SMILES notation for (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-fluoroindazol-3-yl)methanone?
The canonical SMILES for (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-fluoroindazol-3-yl)methanone is CCn1nc2ccc(F)cc2c1C(=O)c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-fluoroindazol-3-yl)methanone?
The InChIKey is QDMPRAKKWVSMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2FN2O2/c1-2-21-14(10-7-9(19)3-4-13(10)20-21)15(22)8-5-11(17)16(23)12(18)6-8/h3-7,23H,2H2,1H3.
What are the key properties of (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-fluoroindazol-3-yl)methanone?
(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-fluoroindazol-3-yl)methanone has a molecular weight of 442.08 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-fluoroindazol-3-yl)methanone is sourced from PubChem (CID 139329678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).