4-[[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-hydroxybenzoic acid

C24H17BrN4O3 — CID 3092307

IUPAC4-[[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(C=NNc2nc(-c3ccccc3)cc(-c3ccc(Br)cc3)n2)cc1O
InChIInChI=1S/C24H17BrN4O3/c25-18-9-7-17(8-10-18)21-13-20(16-4-2-1-3-5-16)27-24(28-21)29-26-14-15-6-11-19(23(31)32)22(30)12-15/h1-14,30H,(H,31,32)(H,27,28,29)
InChIKeyOGXCVZKHLZJFQH-UHFFFAOYSA-N
MW489.33 g/mol
LogP5.42
Rot. Bonds6

About 4-[[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-hydroxybenzoic acid

4-[[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-hydroxybenzoic acid (PubChem CID 3092307) has the molecular formula C24H17BrN4O3 and a molecular weight of 489.33 g/mol. Its IUPAC name is 4-[[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-hydroxybenzoic acid
PubChem CID3092307
Molecular FormulaC24H17BrN4O3
Molecular Weight489.33 g/mol
Exact Mass488.05
IUPAC Name4-[[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(C=NNc2nc(-c3ccccc3)cc(-c3ccc(Br)cc3)n2)cc1O
InChIInChI=1S/C24H17BrN4O3/c25-18-9-7-17(8-10-18)21-13-20(16-4-2-1-3-5-16)27-24(28-21)29-26-14-15-6-11-19(23(31)32)22(30)12-15/h1-14,30H,(H,31,32)(H,27,28,29)
InChIKeyOGXCVZKHLZJFQH-UHFFFAOYSA-N
XLogP5.42
TPSA107.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.33
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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
2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol
CID 135421745
4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine
CID 3092304
2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-4,6-dichlorophenol
CID 135421739
N-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
CID 2842306
2-[2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol
CID 2842336
4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 2867287
4-[[(5-cyano-6-oxo-4-phenyl-1H-pyrimidin-2-yl)hydrazinylidene]methyl]-2-hydroxybenzoic acid
CID 168571706
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338271
N-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
CID 2842311
N-[(E)-(4-bromophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine
CID 5338896
4-[[[4,6-bis(4-methylphenyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol
CID 154071636

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-hydroxybenzoic acid?
The IUPAC name of 4-[[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-hydroxybenzoic acid (CID 3092307) is 4-[[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-hydroxybenzoic acid is O=C(O)c1ccc(C=NNc2nc(-c3ccccc3)cc(-c3ccc(Br)cc3)n2)cc1O.
What is the InChIKey of 4-[[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-hydroxybenzoic acid?
The InChIKey is OGXCVZKHLZJFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrN4O3/c25-18-9-7-17(8-10-18)21-13-20(16-4-2-1-3-5-16)27-24(28-21)29-26-14-15-6-11-19(23(31)32)22(30)12-15/h1-14,30H,(H,31,32)(H,27,28,29).
What are the key properties of 4-[[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-hydroxybenzoic acid?
4-[[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-hydroxybenzoic acid has a molecular weight of 489.33 g/mol, XLogP of 5.42, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 3092307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).