2-[(5-iodo-2-pyridinyl)imino]naphthalene-1,4-dione

C15H9IN2O2 — CID 91213111

IUPAC2-[(5-iodo-2-pyridinyl)imino]naphthalene-1,4-dione
SMILESO=C1C/C(=N\c2ccc(I)cn2)C(=O)c2ccccc21
InChIInChI=1S/C15H9IN2O2/c16-9-5-6-14(17-8-9)18-12-7-13(19)10-3-1-2-4-11(10)15(12)20/h1-6,8H,7H2/b18-12+
InChIKeyJPIURWQFTAJNOE-LDADJPATSA-N
MW376.15 g/mol
LogP3.23
Rot. Bonds1

About 2-[(5-iodo-2-pyridinyl)imino]naphthalene-1,4-dione

2-[(5-iodo-2-pyridinyl)imino]naphthalene-1,4-dione (PubChem CID 91213111) has the molecular formula C15H9IN2O2 and a molecular weight of 376.15 g/mol. Its IUPAC name is 2-[(5-iodo-2-pyridinyl)imino]naphthalene-1,4-dione.

Molecular Properties

Compound Name2-[(5-iodo-2-pyridinyl)imino]naphthalene-1,4-dione
PubChem CID91213111
Molecular FormulaC15H9IN2O2
Molecular Weight376.15 g/mol
Exact Mass375.97
IUPAC Name2-[(5-iodo-2-pyridinyl)imino]naphthalene-1,4-dione
SMILESO=C1C/C(=N\c2ccc(I)cn2)C(=O)c2ccccc21
InChIInChI=1S/C15H9IN2O2/c16-9-5-6-14(17-8-9)18-12-7-13(19)10-3-1-2-4-11(10)15(12)20/h1-6,8H,7H2/b18-12+
InChIKeyJPIURWQFTAJNOE-LDADJPATSA-N
XLogP3.23
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.15
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)iminonaphthalene-1,4-dione
CID 54237267
(3E)-3-hydroxyiminoinden-1-one
CID 6418558
(5-iodo-2-pyridinyl)-phenyldiazene
CID 54591553
cobalt;bis(naphthalene-1,2,4-trione)
CID 70554472
2-(4-phenylbutylimino)naphthalene-1,4-dione
CID 7157452
anthracene-1,2,4,9,10-pentone
CID 68577943
3-(methylhydrazinylidene)inden-1-one
CID 3485546
2-(3,3-dimethoxypropylimino)naphthalene-1,4-dione
CID 7157446
5-iodo-2-[2-(trifluoromethoxy)phenyl]pyridine
CID 134630200
tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
CID 163817575
3-iodo-4-methylbenzo[g]quinoline-5,10-dione
CID 46918599
4-[4-(pyridin-4-ylmethyl)phenyl]iminonaphthalene-1,2-dione
CID 4066946

Frequently Asked Questions

What is the IUPAC name of 2-[(5-iodo-2-pyridinyl)imino]naphthalene-1,4-dione?
The IUPAC name of 2-[(5-iodo-2-pyridinyl)imino]naphthalene-1,4-dione (CID 91213111) is 2-[(5-iodo-2-pyridinyl)imino]naphthalene-1,4-dione.
What is the SMILES notation for 2-[(5-iodo-2-pyridinyl)imino]naphthalene-1,4-dione?
The canonical SMILES for 2-[(5-iodo-2-pyridinyl)imino]naphthalene-1,4-dione is O=C1C/C(=N\c2ccc(I)cn2)C(=O)c2ccccc21.
What is the InChIKey of 2-[(5-iodo-2-pyridinyl)imino]naphthalene-1,4-dione?
The InChIKey is JPIURWQFTAJNOE-LDADJPATSA-N. The full InChI is InChI=1S/C15H9IN2O2/c16-9-5-6-14(17-8-9)18-12-7-13(19)10-3-1-2-4-11(10)15(12)20/h1-6,8H,7H2/b18-12+.
What are the key properties of 2-[(5-iodo-2-pyridinyl)imino]naphthalene-1,4-dione?
2-[(5-iodo-2-pyridinyl)imino]naphthalene-1,4-dione has a molecular weight of 376.15 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-iodo-2-pyridinyl)imino]naphthalene-1,4-dione is sourced from PubChem (CID 91213111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).