4-bromo-2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol

C11H7BrClFN4O — CID 155767225

IUPAC4-bromo-2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1c(Cl)cc(Br)cc1/C=N/Nc1ncc(F)cn1
InChIInChI=1S/C11H7BrClFN4O/c12-7-1-6(10(19)9(13)2-7)3-17-18-11-15-4-8(14)5-16-11/h1-5,19H,(H,15,16,18)/b17-3+
InChIKeyKCHVYVNKAQCTRR-IJUHEHPCSA-N
MW345.56 g/mol
LogP3.18
Rot. Bonds3

About 4-bromo-2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol

4-bromo-2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 155767225) has the molecular formula C11H7BrClFN4O and a molecular weight of 345.56 g/mol. Its IUPAC name is 4-bromo-2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID155767225
Molecular FormulaC11H7BrClFN4O
Molecular Weight345.56 g/mol
Exact Mass343.95
IUPAC Name4-bromo-2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1c(Cl)cc(Br)cc1/C=N/Nc1ncc(F)cn1
InChIInChI=1S/C11H7BrClFN4O/c12-7-1-6(10(19)9(13)2-7)3-17-18-11-15-4-8(14)5-16-11/h1-5,19H,(H,15,16,18)/b17-3+
InChIKeyKCHVYVNKAQCTRR-IJUHEHPCSA-N
XLogP3.18
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.56
LogP ≤ 53.18
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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-bromo-2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol (CID 155767225) is 4-bromo-2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-bromo-2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-bromo-2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol is Oc1c(Cl)cc(Br)cc1/C=N/Nc1ncc(F)cn1.
What is the InChIKey of 4-bromo-2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is KCHVYVNKAQCTRR-IJUHEHPCSA-N. The full InChI is InChI=1S/C11H7BrClFN4O/c12-7-1-6(10(19)9(13)2-7)3-17-18-11-15-4-8(14)5-16-11/h1-5,19H,(H,15,16,18)/b17-3+.
What are the key properties of 4-bromo-2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol?
4-bromo-2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 345.56 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 155767225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).