(3,5-dibromo-4-hydroxyphenyl)-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methanone

C16H12Br2N2O2 — CID 134535486

IUPAC(3,5-dibromo-4-hydroxyphenyl)-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESCCc1nn2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C16H12Br2N2O2/c1-2-12-14(13-5-3-4-6-20(13)19-12)15(21)9-7-10(17)16(22)11(18)8-9/h3-8,22H,2H2,1H3
InChIKeyZQSNSOKRCBQASV-UHFFFAOYSA-N
MW424.09 g/mol
LogP4.36
Rot. Bonds3

About (3,5-dibromo-4-hydroxyphenyl)-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methanone

(3,5-dibromo-4-hydroxyphenyl)-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methanone (PubChem CID 134535486) has the molecular formula C16H12Br2N2O2 and a molecular weight of 424.09 g/mol. Its IUPAC name is (3,5-dibromo-4-hydroxyphenyl)-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dibromo-4-hydroxyphenyl)-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methanone
PubChem CID134535486
Molecular FormulaC16H12Br2N2O2
Molecular Weight424.09 g/mol
Exact Mass421.93
IUPAC Name(3,5-dibromo-4-hydroxyphenyl)-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESCCc1nn2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C16H12Br2N2O2/c1-2-12-14(13-5-3-4-6-20(13)19-12)15(21)9-7-10(17)16(22)11(18)8-9/h3-8,22H,2H2,1H3
InChIKeyZQSNSOKRCBQASV-UHFFFAOYSA-N
XLogP4.36
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.09
LogP ≤ 54.36
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-ethylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The IUPAC name of (3,5-dibromo-4-hydroxyphenyl)-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methanone (CID 134535486) is (3,5-dibromo-4-hydroxyphenyl)-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methanone.
What is the SMILES notation for (3,5-dibromo-4-hydroxyphenyl)-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The canonical SMILES for (3,5-dibromo-4-hydroxyphenyl)-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methanone is CCc1nn2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of (3,5-dibromo-4-hydroxyphenyl)-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The InChIKey is ZQSNSOKRCBQASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N2O2/c1-2-12-14(13-5-3-4-6-20(13)19-12)15(21)9-7-10(17)16(22)11(18)8-9/h3-8,22H,2H2,1H3.
What are the key properties of (3,5-dibromo-4-hydroxyphenyl)-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methanone?
(3,5-dibromo-4-hydroxyphenyl)-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methanone has a molecular weight of 424.09 g/mol, XLogP of 4.36, 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-ethylpyrazolo[1,5-a]pyridin-3-yl)methanone is sourced from PubChem (CID 134535486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).