2-[(4-phenyldiazenylphenyl)iminomethyl]pyridin-3-ol

C18H14N4O — CID 136776452

IUPAC2-[(4-phenyldiazenylphenyl)iminomethyl]pyridin-3-ol
SMILESOc1cccnc1/C=N/c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C18H14N4O/c23-18-7-4-12-19-17(18)13-20-14-8-10-16(11-9-14)22-21-15-5-2-1-3-6-15/h1-13,23H/b20-13+,22-21+
InChIKeyLBPQKVUWQJIPRE-LCHYZJQESA-N
MW302.34 g/mol
LogP4.95
Rot. Bonds4

About 2-[(4-phenyldiazenylphenyl)iminomethyl]pyridin-3-ol

2-[(4-phenyldiazenylphenyl)iminomethyl]pyridin-3-ol (PubChem CID 136776452) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-[(4-phenyldiazenylphenyl)iminomethyl]pyridin-3-ol.

Molecular Properties

Compound Name2-[(4-phenyldiazenylphenyl)iminomethyl]pyridin-3-ol
PubChem CID136776452
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name2-[(4-phenyldiazenylphenyl)iminomethyl]pyridin-3-ol
SMILESOc1cccnc1/C=N/c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C18H14N4O/c23-18-7-4-12-19-17(18)13-20-14-8-10-16(11-9-14)22-21-15-5-2-1-3-6-15/h1-13,23H/b20-13+,22-21+
InChIKeyLBPQKVUWQJIPRE-LCHYZJQESA-N
XLogP4.95
TPSA70.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

cobalt;[2-(phenyliminomethyl)-3-pyridinyl]oxidanium
CID 50910415
2-(methyliminomethyl)pyridin-3-ol
CID 136948272
4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol
CID 136719331
2-[(E)-methoxyiminomethyl]pyridin-3-ol
CID 137012775
2-[(2-hydroxy-1-phenylethyl)iminomethyl]pyridin-3-ol
CID 137254256
2-[(E)-ethoxyiminomethyl]pyridin-3-ol
CID 137274276
copper bis(2-[(4-phenyldiazenylphenyl)iminomethyl]phenolate)
CID 139172748
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
2,4-diiodo-6-[(4-phenyldiazenylphenyl)iminomethyl]phenol
CID 5076612
2-phenyldiazenylthieno[2,3-b]pyridin-3-ol
CID 137227991
1-(2,6-dichlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine
CID 4505752
4-phenyldiazenyl-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 137158226

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyldiazenylphenyl)iminomethyl]pyridin-3-ol?
The IUPAC name of 2-[(4-phenyldiazenylphenyl)iminomethyl]pyridin-3-ol (CID 136776452) is 2-[(4-phenyldiazenylphenyl)iminomethyl]pyridin-3-ol.
What is the SMILES notation for 2-[(4-phenyldiazenylphenyl)iminomethyl]pyridin-3-ol?
The canonical SMILES for 2-[(4-phenyldiazenylphenyl)iminomethyl]pyridin-3-ol is Oc1cccnc1/C=N/c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 2-[(4-phenyldiazenylphenyl)iminomethyl]pyridin-3-ol?
The InChIKey is LBPQKVUWQJIPRE-LCHYZJQESA-N. The full InChI is InChI=1S/C18H14N4O/c23-18-7-4-12-19-17(18)13-20-14-8-10-16(11-9-14)22-21-15-5-2-1-3-6-15/h1-13,23H/b20-13+,22-21+.
What are the key properties of 2-[(4-phenyldiazenylphenyl)iminomethyl]pyridin-3-ol?
2-[(4-phenyldiazenylphenyl)iminomethyl]pyridin-3-ol has a molecular weight of 302.34 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenyldiazenylphenyl)iminomethyl]pyridin-3-ol is sourced from PubChem (CID 136776452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).