2-hydroxy-5-iodo-N-(1-pyridin-2-ylethylideneamino)benzamide

C14H12IN3O2 — CID 1352694

IUPAC2-hydroxy-5-iodo-N-(1-pyridin-2-ylethylideneamino)benzamide
SMILESCC(=NNC(=O)c1cc(I)ccc1O)c1ccccn1
InChIInChI=1S/C14H12IN3O2/c1-9(12-4-2-3-7-16-12)17-18-14(20)11-8-10(15)5-6-13(11)19/h2-8,19H,1H3,(H,18,20)
InChIKeyNYGFYICPYVBUOC-UHFFFAOYSA-N
MW381.17 g/mol
LogP2.55
Rot. Bonds3

About 2-hydroxy-5-iodo-N-(1-pyridin-2-ylethylideneamino)benzamide

2-hydroxy-5-iodo-N-(1-pyridin-2-ylethylideneamino)benzamide (PubChem CID 1352694) has the molecular formula C14H12IN3O2 and a molecular weight of 381.17 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-(1-pyridin-2-ylethylideneamino)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-(1-pyridin-2-ylethylideneamino)benzamide
PubChem CID1352694
Molecular FormulaC14H12IN3O2
Molecular Weight381.17 g/mol
Exact Mass381.00
IUPAC Name2-hydroxy-5-iodo-N-(1-pyridin-2-ylethylideneamino)benzamide
SMILESCC(=NNC(=O)c1cc(I)ccc1O)c1ccccn1
InChIInChI=1S/C14H12IN3O2/c1-9(12-4-2-3-7-16-12)17-18-14(20)11-8-10(15)5-6-13(11)19/h2-8,19H,1H3,(H,18,20)
InChIKeyNYGFYICPYVBUOC-UHFFFAOYSA-N
XLogP2.55
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.17
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-hydroxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5416440
2,4-dihydroxy-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 872905
3,4-dichloro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 773914
(2E)-2-hydroxyimino-N-[(E)-1-pyridin-2-ylethylideneamino]propanamide
CID 139074285
N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-2-hydroxybenzamide
CID 15777277
3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5414676
3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 4180611
3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 9461008
trimethyl-[2-oxo-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]ethyl]azanium
CID 15703229
4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]thiadiazole-5-carboxamide
CID 164702525
3,5-dinitro-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 40532157
N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide
CID 4258546

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-(1-pyridin-2-ylethylideneamino)benzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-(1-pyridin-2-ylethylideneamino)benzamide (CID 1352694) is 2-hydroxy-5-iodo-N-(1-pyridin-2-ylethylideneamino)benzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-(1-pyridin-2-ylethylideneamino)benzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-(1-pyridin-2-ylethylideneamino)benzamide is CC(=NNC(=O)c1cc(I)ccc1O)c1ccccn1.
What is the InChIKey of 2-hydroxy-5-iodo-N-(1-pyridin-2-ylethylideneamino)benzamide?
The InChIKey is NYGFYICPYVBUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12IN3O2/c1-9(12-4-2-3-7-16-12)17-18-14(20)11-8-10(15)5-6-13(11)19/h2-8,19H,1H3,(H,18,20).
What are the key properties of 2-hydroxy-5-iodo-N-(1-pyridin-2-ylethylideneamino)benzamide?
2-hydroxy-5-iodo-N-(1-pyridin-2-ylethylideneamino)benzamide has a molecular weight of 381.17 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-iodo-N-(1-pyridin-2-ylethylideneamino)benzamide is sourced from PubChem (CID 1352694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).