2-iodo-5-nitro-N'-(pyridin-3-yloxymethyl)benzohydrazide

C13H11IN4O4 — CID 23557253

IUPAC2-iodo-5-nitro-N'-(pyridin-3-yloxymethyl)benzohydrazide
SMILESO=C(NNCOc1cccnc1)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C13H11IN4O4/c14-12-4-3-9(18(20)21)6-11(12)13(19)17-16-8-22-10-2-1-5-15-7-10/h1-7,16H,8H2,(H,17,19)
InChIKeyQAPFVRMBZPZXPC-UHFFFAOYSA-N
MW414.16 g/mol
LogP1.87
Rot. Bonds6

About 2-iodo-5-nitro-N'-(pyridin-3-yloxymethyl)benzohydrazide

2-iodo-5-nitro-N'-(pyridin-3-yloxymethyl)benzohydrazide (PubChem CID 23557253) has the molecular formula C13H11IN4O4 and a molecular weight of 414.16 g/mol. Its IUPAC name is 2-iodo-5-nitro-N'-(pyridin-3-yloxymethyl)benzohydrazide.

Molecular Properties

Compound Name2-iodo-5-nitro-N'-(pyridin-3-yloxymethyl)benzohydrazide
PubChem CID23557253
Molecular FormulaC13H11IN4O4
Molecular Weight414.16 g/mol
Exact Mass413.98
IUPAC Name2-iodo-5-nitro-N'-(pyridin-3-yloxymethyl)benzohydrazide
SMILESO=C(NNCOc1cccnc1)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C13H11IN4O4/c14-12-4-3-9(18(20)21)6-11(12)13(19)17-16-8-22-10-2-1-5-15-7-10/h1-7,16H,8H2,(H,17,19)
InChIKeyQAPFVRMBZPZXPC-UHFFFAOYSA-N
XLogP1.87
TPSA106.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.16
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-iodo-5-nitrobenzoyl)pyridine-3-carbohydrazide
CID 15547621
(2-iodo-5-nitrophenyl)-pyridin-3-ylmethanone
CID 134638297
2-iodo-N-(4-methyl-3-pyridinyl)-5-nitrobenzamide
CID 63327531
2-iodo-5-nitro-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 55921002
2-iodo-5-nitro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55901382
3-[(2-bromo-4-nitrophenyl)methoxy]pyridine
CID 112558785
2-iodo-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983
N-(6-hydroxyhexyl)-2-iodo-5-nitrobenzamide
CID 103919166
N-(3-ethylpentan-3-yl)-2-iodo-5-nitrobenzamide
CID 65039144
N-cyclobutyl-2-iodo-5-nitrobenzamide
CID 62416139
2-iodo-5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 104579241
2-iodo-N-(2-methylpropoxy)-5-nitrobenzamide
CID 113304510

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-nitro-N'-(pyridin-3-yloxymethyl)benzohydrazide?
The IUPAC name of 2-iodo-5-nitro-N'-(pyridin-3-yloxymethyl)benzohydrazide (CID 23557253) is 2-iodo-5-nitro-N'-(pyridin-3-yloxymethyl)benzohydrazide.
What is the SMILES notation for 2-iodo-5-nitro-N'-(pyridin-3-yloxymethyl)benzohydrazide?
The canonical SMILES for 2-iodo-5-nitro-N'-(pyridin-3-yloxymethyl)benzohydrazide is O=C(NNCOc1cccnc1)c1cc([N+](=O)[O-])ccc1I.
What is the InChIKey of 2-iodo-5-nitro-N'-(pyridin-3-yloxymethyl)benzohydrazide?
The InChIKey is QAPFVRMBZPZXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN4O4/c14-12-4-3-9(18(20)21)6-11(12)13(19)17-16-8-22-10-2-1-5-15-7-10/h1-7,16H,8H2,(H,17,19).
What are the key properties of 2-iodo-5-nitro-N'-(pyridin-3-yloxymethyl)benzohydrazide?
2-iodo-5-nitro-N'-(pyridin-3-yloxymethyl)benzohydrazide has a molecular weight of 414.16 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-nitro-N'-(pyridin-3-yloxymethyl)benzohydrazide is sourced from PubChem (CID 23557253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).