4-bromo-2-[(5-bromo-2-pyridinyl)iminomethyl]naphthalen-1-ol

C16H10Br2N2O — CID 1204088

IUPAC4-bromo-2-[(5-bromo-2-pyridinyl)iminomethyl]naphthalen-1-ol
SMILESOc1c(/C=N/c2ccc(Br)cn2)cc(Br)c2ccccc12
InChIInChI=1S/C16H10Br2N2O/c17-11-5-6-15(20-9-11)19-8-10-7-14(18)12-3-1-2-4-13(12)16(10)21/h1-9,21H/b19-8+
InChIKeyULWORVHIXOCNIA-UFWORHAWSA-N
MW406.08 g/mol
LogP5.22
Rot. Bonds2

About 4-bromo-2-[(5-bromo-2-pyridinyl)iminomethyl]naphthalen-1-ol

4-bromo-2-[(5-bromo-2-pyridinyl)iminomethyl]naphthalen-1-ol (PubChem CID 1204088) has the molecular formula C16H10Br2N2O and a molecular weight of 406.08 g/mol. Its IUPAC name is 4-bromo-2-[(5-bromo-2-pyridinyl)iminomethyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-bromo-2-[(5-bromo-2-pyridinyl)iminomethyl]naphthalen-1-ol
PubChem CID1204088
Molecular FormulaC16H10Br2N2O
Molecular Weight406.08 g/mol
Exact Mass403.92
IUPAC Name4-bromo-2-[(5-bromo-2-pyridinyl)iminomethyl]naphthalen-1-ol
SMILESOc1c(/C=N/c2ccc(Br)cn2)cc(Br)c2ccccc12
InChIInChI=1S/C16H10Br2N2O/c17-11-5-6-15(20-9-11)19-8-10-7-14(18)12-3-1-2-4-13(12)16(10)21/h1-9,21H/b19-8+
InChIKeyULWORVHIXOCNIA-UFWORHAWSA-N
XLogP5.22
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.08
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(5-bromo-2-pyridinyl)iminomethyl]naphthalen-1-ol?
The IUPAC name of 4-bromo-2-[(5-bromo-2-pyridinyl)iminomethyl]naphthalen-1-ol (CID 1204088) is 4-bromo-2-[(5-bromo-2-pyridinyl)iminomethyl]naphthalen-1-ol.
What is the SMILES notation for 4-bromo-2-[(5-bromo-2-pyridinyl)iminomethyl]naphthalen-1-ol?
The canonical SMILES for 4-bromo-2-[(5-bromo-2-pyridinyl)iminomethyl]naphthalen-1-ol is Oc1c(/C=N/c2ccc(Br)cn2)cc(Br)c2ccccc12.
What is the InChIKey of 4-bromo-2-[(5-bromo-2-pyridinyl)iminomethyl]naphthalen-1-ol?
The InChIKey is ULWORVHIXOCNIA-UFWORHAWSA-N. The full InChI is InChI=1S/C16H10Br2N2O/c17-11-5-6-15(20-9-11)19-8-10-7-14(18)12-3-1-2-4-13(12)16(10)21/h1-9,21H/b19-8+.
What are the key properties of 4-bromo-2-[(5-bromo-2-pyridinyl)iminomethyl]naphthalen-1-ol?
4-bromo-2-[(5-bromo-2-pyridinyl)iminomethyl]naphthalen-1-ol has a molecular weight of 406.08 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(5-bromo-2-pyridinyl)iminomethyl]naphthalen-1-ol is sourced from PubChem (CID 1204088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).