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

C16H11N3O3 — CID 136835586

IUPAC1-[(5-nitro-2-pyridinyl)iminomethyl]naphthalen-2-ol
SMILESO=[N+]([O-])c1ccc(/N=C/c2c(O)ccc3ccccc23)nc1
InChIInChI=1S/C16H11N3O3/c20-15-7-5-11-3-1-2-4-13(11)14(15)10-18-16-8-6-12(9-17-16)19(21)22/h1-10,20H/b18-10+
InChIKeyGDVHIHUHIZACDH-VCHYOVAHSA-N
MW293.28 g/mol
LogP3.60
Rot. Bonds3

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

1-[(5-nitro-2-pyridinyl)iminomethyl]naphthalen-2-ol (PubChem CID 136835586) has the molecular formula C16H11N3O3 and a molecular weight of 293.28 g/mol. Its IUPAC name is 1-[(5-nitro-2-pyridinyl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(5-nitro-2-pyridinyl)iminomethyl]naphthalen-2-ol
PubChem CID136835586
Molecular FormulaC16H11N3O3
Molecular Weight293.28 g/mol
Exact Mass293.08
IUPAC Name1-[(5-nitro-2-pyridinyl)iminomethyl]naphthalen-2-ol
SMILESO=[N+]([O-])c1ccc(/N=C/c2c(O)ccc3ccccc23)nc1
InChIInChI=1S/C16H11N3O3/c20-15-7-5-11-3-1-2-4-13(11)14(15)10-18-16-8-6-12(9-17-16)19(21)22/h1-10,20H/b18-10+
InChIKeyGDVHIHUHIZACDH-VCHYOVAHSA-N
XLogP3.60
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-[(5-nitro-2-pyridinyl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(5-nitro-2-pyridinyl)iminomethyl]naphthalen-2-ol (CID 136835586) is 1-[(5-nitro-2-pyridinyl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(5-nitro-2-pyridinyl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(5-nitro-2-pyridinyl)iminomethyl]naphthalen-2-ol is O=[N+]([O-])c1ccc(/N=C/c2c(O)ccc3ccccc23)nc1.
What is the InChIKey of 1-[(5-nitro-2-pyridinyl)iminomethyl]naphthalen-2-ol?
The InChIKey is GDVHIHUHIZACDH-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H11N3O3/c20-15-7-5-11-3-1-2-4-13(11)14(15)10-18-16-8-6-12(9-17-16)19(21)22/h1-10,20H/b18-10+.
What are the key properties of 1-[(5-nitro-2-pyridinyl)iminomethyl]naphthalen-2-ol?
1-[(5-nitro-2-pyridinyl)iminomethyl]naphthalen-2-ol has a molecular weight of 293.28 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-nitro-2-pyridinyl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 136835586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).