N'-(2-iodo-5-nitrobenzoyl)pyridine-3-carbohydrazide

C13H9IN4O4 — CID 15547621

IUPACN'-(2-iodo-5-nitrobenzoyl)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cc([N+](=O)[O-])ccc1I)c1cccnc1
InChIInChI=1S/C13H9IN4O4/c14-11-4-3-9(18(21)22)6-10(11)13(20)17-16-12(19)8-2-1-5-15-7-8/h1-7H,(H,16,19)(H,17,20)
InChIKeyWZGLNQLJGPIKHP-UHFFFAOYSA-N
MW412.14 g/mol
LogP1.67
Rot. Bonds3

About N'-(2-iodo-5-nitrobenzoyl)pyridine-3-carbohydrazide

N'-(2-iodo-5-nitrobenzoyl)pyridine-3-carbohydrazide (PubChem CID 15547621) has the molecular formula C13H9IN4O4 and a molecular weight of 412.14 g/mol. Its IUPAC name is N'-(2-iodo-5-nitrobenzoyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-iodo-5-nitrobenzoyl)pyridine-3-carbohydrazide
PubChem CID15547621
Molecular FormulaC13H9IN4O4
Molecular Weight412.14 g/mol
Exact Mass411.97
IUPAC NameN'-(2-iodo-5-nitrobenzoyl)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cc([N+](=O)[O-])ccc1I)c1cccnc1
InChIInChI=1S/C13H9IN4O4/c14-11-4-3-9(18(21)22)6-10(11)13(20)17-16-12(19)8-2-1-5-15-7-8/h1-7H,(H,16,19)(H,17,20)
InChIKeyWZGLNQLJGPIKHP-UHFFFAOYSA-N
XLogP1.67
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.14
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

(2-iodo-5-nitrophenyl)-pyridin-3-ylmethanone
CID 134638297
2-iodo-5-nitro-N'-(pyridin-3-yloxymethyl)benzohydrazide
CID 23557253
4-nitro-2-(pyridine-3-carbonylamino)phenolate
CID 6946227
N-(2-chloro-4-nitrophenyl)pyridine-3-carboxamide
CID 2850411
2-iodo-N-(4-methyl-3-pyridinyl)-5-nitrobenzamide
CID 63327531
N'-(4-chloro-2-iodobenzoyl)pyridine-3-carbohydrazide
CID 39716932
N-[(Z)-1-(2-hydroxy-5-nitrophenyl)ethylideneamino]pyridine-3-carboxamide
CID 136698137
N'-(4-iodobenzoyl)pyridine-3-carbohydrazide
CID 19166393
N'-benzoyl-2-hydroxy-5-nitrobenzohydrazide
CID 3351512
2-iodo-5-nitro-N-(thiadiazol-5-yl)benzamide
CID 114912062
N-[3-[(2-chloro-4-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188695
2-iodo-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983

Frequently Asked Questions

What is the IUPAC name of N'-(2-iodo-5-nitrobenzoyl)pyridine-3-carbohydrazide?
The IUPAC name of N'-(2-iodo-5-nitrobenzoyl)pyridine-3-carbohydrazide (CID 15547621) is N'-(2-iodo-5-nitrobenzoyl)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(2-iodo-5-nitrobenzoyl)pyridine-3-carbohydrazide?
The canonical SMILES for N'-(2-iodo-5-nitrobenzoyl)pyridine-3-carbohydrazide is O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1I)c1cccnc1.
What is the InChIKey of N'-(2-iodo-5-nitrobenzoyl)pyridine-3-carbohydrazide?
The InChIKey is WZGLNQLJGPIKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9IN4O4/c14-11-4-3-9(18(21)22)6-10(11)13(20)17-16-12(19)8-2-1-5-15-7-8/h1-7H,(H,16,19)(H,17,20).
What are the key properties of N'-(2-iodo-5-nitrobenzoyl)pyridine-3-carbohydrazide?
N'-(2-iodo-5-nitrobenzoyl)pyridine-3-carbohydrazide has a molecular weight of 412.14 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-iodo-5-nitrobenzoyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 15547621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).