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

C13H9ClN4O4 — CID 7021665

IUPACN'-(2-chloro-5-nitrobenzoyl)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccnc1
InChIInChI=1S/C13H9ClN4O4/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)
InChIKeyBQPDVXJIGKFJKH-UHFFFAOYSA-N
MW320.69 g/mol
LogP1.72
Rot. Bonds3

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

N'-(2-chloro-5-nitrobenzoyl)pyridine-3-carbohydrazide (PubChem CID 7021665) has the molecular formula C13H9ClN4O4 and a molecular weight of 320.69 g/mol. Its IUPAC name is N'-(2-chloro-5-nitrobenzoyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chloro-5-nitrobenzoyl)pyridine-3-carbohydrazide
PubChem CID7021665
Molecular FormulaC13H9ClN4O4
Molecular Weight320.69 g/mol
Exact Mass320.03
IUPAC NameN'-(2-chloro-5-nitrobenzoyl)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccnc1
InChIInChI=1S/C13H9ClN4O4/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)
InChIKeyBQPDVXJIGKFJKH-UHFFFAOYSA-N
XLogP1.72
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.69
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-5-nitro-N-4-pyridinylbenzamide
CID 2777391
3-nitro-N-[(E)-1-pyridin-4-ylethylideneamino]benzamide
CID 5340499
2-chloro-5-nitro-N-(pyridin-3-yl)benzamide
CID 765306
N'-[(2-nitrophenyl)-oxomethyl]-2-pyridinecarbohydrazide
CID 3127390
N-[(E)-(4-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 6863948
3-nitro-N'-[(1E)-1-(pyridin-3-yl)ethylidene]benzohydrazide
CID 5340771
N'-(2-Nitrobenzylidene)nicotinohydrazide
CID 6893809
4-Chloro-5-Nitro-2-[(Pyridin-3-Ylmethyl)amino]benzamide
CID 25161461
2-chloro-N'-(3-pyridinylcarbonyl)benzohydrazide
CID 721347
N'-(3-nitrobenzoyl)isonicotinohydrazide
CID 3121279
3-nitro-N'-[(1E)-pyridin-2-ylmethylene]benzohydrazide
CID 5339648
N'-[(1E,2Z)-3-(4-nitrophenyl)prop-2-en-1-ylidene]pyridine-3-carbohydrazide
CID 6886340

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-5-nitrobenzoyl)pyridine-3-carbohydrazide?
The IUPAC name of N'-(2-chloro-5-nitrobenzoyl)pyridine-3-carbohydrazide (CID 7021665) is N'-(2-chloro-5-nitrobenzoyl)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(2-chloro-5-nitrobenzoyl)pyridine-3-carbohydrazide?
The canonical SMILES for N'-(2-chloro-5-nitrobenzoyl)pyridine-3-carbohydrazide is O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccnc1.
What is the InChIKey of N'-(2-chloro-5-nitrobenzoyl)pyridine-3-carbohydrazide?
The InChIKey is BQPDVXJIGKFJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O4/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-chloro-5-nitrobenzoyl)pyridine-3-carbohydrazide?
N'-(2-chloro-5-nitrobenzoyl)pyridine-3-carbohydrazide has a molecular weight of 320.69 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-5-nitrobenzoyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 7021665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).