4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol

C15H14BrClFN5O2 — CID 135846628

IUPAC4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1c(Cl)cc(Br)cc1/C=N\Nc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C15H14BrClFN5O2/c16-10-5-9(13(24)11(17)6-10)7-20-22-15-19-8-12(18)14(21-15)23-1-3-25-4-2-23/h5-8,24H,1-4H2,(H,19,21,22)/b20-7-
InChIKeyBFQFMABDPKBSAY-SCDVKCJHSA-N
MW430.67 g/mol
LogP3.02
Rot. Bonds4

About 4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol

4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135846628) has the molecular formula C15H14BrClFN5O2 and a molecular weight of 430.67 g/mol. Its IUPAC name is 4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135846628
Molecular FormulaC15H14BrClFN5O2
Molecular Weight430.67 g/mol
Exact Mass429.00
IUPAC Name4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1c(Cl)cc(Br)cc1/C=N\Nc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C15H14BrClFN5O2/c16-10-5-9(13(24)11(17)6-10)7-20-22-15-19-8-12(18)14(21-15)23-1-3-25-4-2-23/h5-8,24H,1-4H2,(H,19,21,22)/b20-7-
InChIKeyBFQFMABDPKBSAY-SCDVKCJHSA-N
XLogP3.02
TPSA82.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.67
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

Analyze 4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (CID 135846628) is 4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is Oc1c(Cl)cc(Br)cc1/C=N\Nc1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of 4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is BFQFMABDPKBSAY-SCDVKCJHSA-N. The full InChI is InChI=1S/C15H14BrClFN5O2/c16-10-5-9(13(24)11(17)6-10)7-20-22-15-19-8-12(18)14(21-15)23-1-3-25-4-2-23/h5-8,24H,1-4H2,(H,19,21,22)/b20-7-.
What are the key properties of 4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 430.67 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135846628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).