1-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol

C15H11BrN4O — CID 135421696

IUPAC1-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/Nc1ncc(Br)cn1
InChIInChI=1S/C15H11BrN4O/c16-11-7-17-15(18-8-11)20-19-9-13-12-4-2-1-3-10(12)5-6-14(13)21/h1-9,21H,(H,17,18,20)/b19-9+
InChIKeyNWMSNQGEUUGSCU-DJKKODMXSA-N
MW343.18 g/mol
LogP3.54
Rot. Bonds3

About 1-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol

1-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol (PubChem CID 135421696) has the molecular formula C15H11BrN4O and a molecular weight of 343.18 g/mol. Its IUPAC name is 1-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
PubChem CID135421696
Molecular FormulaC15H11BrN4O
Molecular Weight343.18 g/mol
Exact Mass342.01
IUPAC Name1-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/Nc1ncc(Br)cn1
InChIInChI=1S/C15H11BrN4O/c16-11-7-17-15(18-8-11)20-19-9-13-12-4-2-1-3-10(12)5-6-14(13)21/h1-9,21H,(H,17,18,20)/b19-9+
InChIKeyNWMSNQGEUUGSCU-DJKKODMXSA-N
XLogP3.54
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.54
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 1-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol (CID 135421696) is 1-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/Nc1ncc(Br)cn1.
What is the InChIKey of 1-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol?
The InChIKey is NWMSNQGEUUGSCU-DJKKODMXSA-N. The full InChI is InChI=1S/C15H11BrN4O/c16-11-7-17-15(18-8-11)20-19-9-13-12-4-2-1-3-10(12)5-6-14(13)21/h1-9,21H,(H,17,18,20)/b19-9+.
What are the key properties of 1-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol?
1-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol has a molecular weight of 343.18 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol is sourced from PubChem (CID 135421696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).