5-amino-4-chloro-2-phenylpyridazin-3-one;3,5-dibromo-4-hydroxybenzonitrile

C17H11Br2ClN4O2 — CID 174814217

IUPAC5-amino-4-chloro-2-phenylpyridazin-3-one;3,5-dibromo-4-hydroxybenzonitrile
SMILESN#Cc1cc(Br)c(O)c(Br)c1.Nc1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C10H8ClN3O.C7H3Br2NO/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7;8-5-1-4(3-10)2-6(9)7(5)11/h1-6H,12H2;1-2,11H
InChIKeyWWJBTMJFWGBROW-UHFFFAOYSA-N
MW498.56 g/mol
LogP4.26
Rot. Bonds1

About 5-amino-4-chloro-2-phenylpyridazin-3-one;3,5-dibromo-4-hydroxybenzonitrile

5-amino-4-chloro-2-phenylpyridazin-3-one;3,5-dibromo-4-hydroxybenzonitrile (PubChem CID 174814217) has the molecular formula C17H11Br2ClN4O2 and a molecular weight of 498.56 g/mol. Its IUPAC name is 5-amino-4-chloro-2-phenylpyridazin-3-one;3,5-dibromo-4-hydroxybenzonitrile.

Molecular Properties

Compound Name5-amino-4-chloro-2-phenylpyridazin-3-one;3,5-dibromo-4-hydroxybenzonitrile
PubChem CID174814217
Molecular FormulaC17H11Br2ClN4O2
Molecular Weight498.56 g/mol
Exact Mass495.89
IUPAC Name5-amino-4-chloro-2-phenylpyridazin-3-one;3,5-dibromo-4-hydroxybenzonitrile
SMILESN#Cc1cc(Br)c(O)c(Br)c1.Nc1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C10H8ClN3O.C7H3Br2NO/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7;8-5-1-4(3-10)2-6(9)7(5)11/h1-6H,12H2;1-2,11H
InChIKeyWWJBTMJFWGBROW-UHFFFAOYSA-N
XLogP4.26
TPSA104.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.56
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-chloro-2-phenylpyridazin-3-one;3,5-dibromo-4-hydroxybenzonitrile?
The IUPAC name of 5-amino-4-chloro-2-phenylpyridazin-3-one;3,5-dibromo-4-hydroxybenzonitrile (CID 174814217) is 5-amino-4-chloro-2-phenylpyridazin-3-one;3,5-dibromo-4-hydroxybenzonitrile.
What is the SMILES notation for 5-amino-4-chloro-2-phenylpyridazin-3-one;3,5-dibromo-4-hydroxybenzonitrile?
The canonical SMILES for 5-amino-4-chloro-2-phenylpyridazin-3-one;3,5-dibromo-4-hydroxybenzonitrile is N#Cc1cc(Br)c(O)c(Br)c1.Nc1cnn(-c2ccccc2)c(=O)c1Cl.
What is the InChIKey of 5-amino-4-chloro-2-phenylpyridazin-3-one;3,5-dibromo-4-hydroxybenzonitrile?
The InChIKey is WWJBTMJFWGBROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O.C7H3Br2NO/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7;8-5-1-4(3-10)2-6(9)7(5)11/h1-6H,12H2;1-2,11H.
What are the key properties of 5-amino-4-chloro-2-phenylpyridazin-3-one;3,5-dibromo-4-hydroxybenzonitrile?
5-amino-4-chloro-2-phenylpyridazin-3-one;3,5-dibromo-4-hydroxybenzonitrile has a molecular weight of 498.56 g/mol, XLogP of 4.26, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-chloro-2-phenylpyridazin-3-one;3,5-dibromo-4-hydroxybenzonitrile is sourced from PubChem (CID 174814217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).