2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol

C11H7BrCl2N4O — CID 135421697

IUPAC2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/Nc1ncc(Br)cn1
InChIInChI=1S/C11H7BrCl2N4O/c12-7-4-15-11(16-5-7)18-17-3-6-1-8(13)2-9(14)10(6)19/h1-5,19H,(H,15,16,18)/b17-3+
InChIKeyUSLBNUZIKJCFBJ-IJUHEHPCSA-N
MW362.01 g/mol
LogP3.70
Rot. Bonds3

About 2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol

2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol (PubChem CID 135421697) has the molecular formula C11H7BrCl2N4O and a molecular weight of 362.01 g/mol. Its IUPAC name is 2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol.

Molecular Properties

Compound Name2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol
PubChem CID135421697
Molecular FormulaC11H7BrCl2N4O
Molecular Weight362.01 g/mol
Exact Mass359.92
IUPAC Name2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/Nc1ncc(Br)cn1
InChIInChI=1S/C11H7BrCl2N4O/c12-7-4-15-11(16-5-7)18-17-3-6-1-8(13)2-9(14)10(6)19/h1-5,19H,(H,15,16,18)/b17-3+
InChIKeyUSLBNUZIKJCFBJ-IJUHEHPCSA-N
XLogP3.70
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.01
LogP ≤ 53.70
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-[(5-Bromo-pyrimidin-2-yl)-hydrazonomethyl]-phenol
CID 135458767
2-[(E)-[(5-chloropyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 137174985
3,5-dichloro-2-hydroxybenzaldehyde [6-(4-methyl-1H-pyrazol-1-yl)-4-pyrimidinyl]hydrazone
CID 135536473
2,4-dichloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 135846631
4-bromo-2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 155767225
CID 173796263
CID 173796263
2,4-dichloro-6-[(Z)-{2-[5-fluoro-4-(morpholin-4-yl)pyrimidin-2-yl]hydrazinylidene}methyl]phenol
CID 135628636
2-bromo-4-chloro-6-[(Z)-{2-[5-fluoro-4-(pyrrolidin-1-yl)pyrimidin-2-yl]hydrazinylidene}methyl]phenol
CID 135636691
2,4-Dichloro-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 136700767
2-bromo-4-chloro-6-[(E)-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 136876972
2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 143471099
2-Bromo-4-chloro-6-[[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 171131812

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol?
The IUPAC name of 2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol (CID 135421697) is 2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol.
What is the SMILES notation for 2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol?
The canonical SMILES for 2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol is Oc1c(Cl)cc(Cl)cc1/C=N/Nc1ncc(Br)cn1.
What is the InChIKey of 2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol?
The InChIKey is USLBNUZIKJCFBJ-IJUHEHPCSA-N. The full InChI is InChI=1S/C11H7BrCl2N4O/c12-7-4-15-11(16-5-7)18-17-3-6-1-8(13)2-9(14)10(6)19/h1-5,19H,(H,15,16,18)/b17-3+.
What are the key properties of 2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol?
2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol has a molecular weight of 362.01 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol is sourced from PubChem (CID 135421697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).