5-bromo-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide

C15H14BrClFN5O3 — CID 58876757

IUPAC5-bromo-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide
SMILESO=C(NNc1ncc(F)c(N2CCOCC2)n1)c1cc(Br)cc(Cl)c1O
InChIInChI=1S/C15H14BrClFN5O3/c16-8-5-9(12(24)10(17)6-8)14(25)21-22-15-19-7-11(18)13(20-15)23-1-3-26-4-2-23/h5-7,24H,1-4H2,(H,21,25)(H,19,20,22)
InChIKeyPMTKQEUXOBXTOR-UHFFFAOYSA-N
MW446.66 g/mol
LogP2.33
Rot. Bonds4

About 5-bromo-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide

5-bromo-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide (PubChem CID 58876757) has the molecular formula C15H14BrClFN5O3 and a molecular weight of 446.66 g/mol. Its IUPAC name is 5-bromo-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide.

Molecular Properties

Compound Name5-bromo-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide
PubChem CID58876757
Molecular FormulaC15H14BrClFN5O3
Molecular Weight446.66 g/mol
Exact Mass445.00
IUPAC Name5-bromo-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide
SMILESO=C(NNc1ncc(F)c(N2CCOCC2)n1)c1cc(Br)cc(Cl)c1O
InChIInChI=1S/C15H14BrClFN5O3/c16-8-5-9(12(24)10(17)6-8)14(25)21-22-15-19-7-11(18)13(20-15)23-1-3-26-4-2-23/h5-7,24H,1-4H2,(H,21,25)(H,19,20,22)
InChIKeyPMTKQEUXOBXTOR-UHFFFAOYSA-N
XLogP2.33
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.66
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide?
The IUPAC name of 5-bromo-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide (CID 58876757) is 5-bromo-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide.
What is the SMILES notation for 5-bromo-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide?
The canonical SMILES for 5-bromo-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide is O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1cc(Br)cc(Cl)c1O.
What is the InChIKey of 5-bromo-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide?
The InChIKey is PMTKQEUXOBXTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN5O3/c16-8-5-9(12(24)10(17)6-8)14(25)21-22-15-19-7-11(18)13(20-15)23-1-3-26-4-2-23/h5-7,24H,1-4H2,(H,21,25)(H,19,20,22).
What are the key properties of 5-bromo-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide?
5-bromo-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide has a molecular weight of 446.66 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide is sourced from PubChem (CID 58876757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).