2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-4,6-dichlorophenol

C23H15BrCl2N4O — CID 135421739

IUPAC2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-4,6-dichlorophenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/Nc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C23H15BrCl2N4O/c24-17-8-6-15(7-9-17)21-12-20(14-4-2-1-3-5-14)28-23(29-21)30-27-13-16-10-18(25)11-19(26)22(16)31/h1-13,31H,(H,28,29,30)/b27-13+
InChIKeyZPVVAGVTYLSJGL-UVHMKAGCSA-N
MW514.21 g/mol
LogP7.03
Rot. Bonds5

About 2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-4,6-dichlorophenol

2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-4,6-dichlorophenol (PubChem CID 135421739) has the molecular formula C23H15BrCl2N4O and a molecular weight of 514.21 g/mol. Its IUPAC name is 2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-4,6-dichlorophenol.

Molecular Properties

Compound Name2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-4,6-dichlorophenol
PubChem CID135421739
Molecular FormulaC23H15BrCl2N4O
Molecular Weight514.21 g/mol
Exact Mass511.98
IUPAC Name2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-4,6-dichlorophenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/Nc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C23H15BrCl2N4O/c24-17-8-6-15(7-9-17)21-12-20(14-4-2-1-3-5-14)28-23(29-21)30-27-13-16-10-18(25)11-19(26)22(16)31/h1-13,31H,(H,28,29,30)/b27-13+
InChIKeyZPVVAGVTYLSJGL-UVHMKAGCSA-N
XLogP7.03
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.21
LogP ≤ 57.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol
CID 135443156
4-bromo-2-chloro-6-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 137084979
2-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol
CID 135458790
2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol
CID 135421745
4-[[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-hydroxybenzoic acid
CID 3092307
4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine
CID 3092304
2,4-dichloro-6-[(Z)-[[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135892476
2-[(Z)-[[2-(4-bromophenyl)-6-phenylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 135907237
2,4-dichloro-6-[(E)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol
CID 135435636
2,4-dichloro-6-[(E)-[[5-(4-nitrophenyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol
CID 135588478
2,4-dichloro-6-[[[2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-6-(2-methoxyanilino)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 139976647
N-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
CID 2842306

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-4,6-dichlorophenol?
The IUPAC name of 2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-4,6-dichlorophenol (CID 135421739) is 2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-4,6-dichlorophenol.
What is the SMILES notation for 2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-4,6-dichlorophenol?
The canonical SMILES for 2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-4,6-dichlorophenol is Oc1c(Cl)cc(Cl)cc1/C=N/Nc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-4,6-dichlorophenol?
The InChIKey is ZPVVAGVTYLSJGL-UVHMKAGCSA-N. The full InChI is InChI=1S/C23H15BrCl2N4O/c24-17-8-6-15(7-9-17)21-12-20(14-4-2-1-3-5-14)28-23(29-21)30-27-13-16-10-18(25)11-19(26)22(16)31/h1-13,31H,(H,28,29,30)/b27-13+.
What are the key properties of 2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-4,6-dichlorophenol?
2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-4,6-dichlorophenol has a molecular weight of 514.21 g/mol, XLogP of 7.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-4,6-dichlorophenol is sourced from PubChem (CID 135421739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).