(2Z)-2-[(2-nitrophenyl)methylidene]-1H-pyridine-3-carbohydrazide

C13H12N4O3 — CID 70020792

IUPAC(2Z)-2-[(2-nitrophenyl)methylidene]-1H-pyridine-3-carbohydrazide
SMILESNNC(=O)C1=CC=CN/C1=C\c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H12N4O3/c14-16-13(18)10-5-3-7-15-11(10)8-9-4-1-2-6-12(9)17(19)20/h1-8,15H,14H2,(H,16,18)/b11-8-
InChIKeySPCRQYQSEIWLMK-FLIBITNWSA-N
MW272.26 g/mol
LogP0.97
Rot. Bonds3

About (2Z)-2-[(2-nitrophenyl)methylidene]-1H-pyridine-3-carbohydrazide

(2Z)-2-[(2-nitrophenyl)methylidene]-1H-pyridine-3-carbohydrazide (PubChem CID 70020792) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is (2Z)-2-[(2-nitrophenyl)methylidene]-1H-pyridine-3-carbohydrazide.

Molecular Properties

Compound Name(2Z)-2-[(2-nitrophenyl)methylidene]-1H-pyridine-3-carbohydrazide
PubChem CID70020792
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name(2Z)-2-[(2-nitrophenyl)methylidene]-1H-pyridine-3-carbohydrazide
SMILESNNC(=O)C1=CC=CN/C1=C\c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H12N4O3/c14-16-13(18)10-5-3-7-15-11(10)8-9-4-1-2-6-12(9)17(19)20/h1-8,15H,14H2,(H,16,18)/b11-8-
InChIKeySPCRQYQSEIWLMK-FLIBITNWSA-N
XLogP0.97
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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

ethyl 3-(2-nitrophenyl)-2-phenylprop-2-enoate
CID 54552089
(3Z,5E)-3,5-bis[(2-nitrophenyl)methylidene]piperidin-4-one
CID 89154568
2-hydroxy-3-nitrobenzohydrazide
CID 11367606
(3Z,6Z)-3,6-bis[(2-nitrophenyl)methylidene]piperazine-2,5-dione
CID 6533590
2-aminoacetic acid;(2-nitrophenyl)-phenylmethanone
CID 174848251
(E)-2,3-bis(2-nitrophenyl)prop-2-en-1-ol
CID 10542203
(Z)-5-(2-nitrophenyl)-3-oxopent-4-enoic acid
CID 70083415
4-anilino-3,5-dinitrobenzohydrazide
CID 132593734
(5E)-1,6-bis(2-nitrophenyl)hexa-1,5-diene-3,4-dione
CID 5382706
1,5-bis(2-nitrophenyl)penta-1,4-dien-3-one
CID 91254443
azane;carbamic acid;(2-nitrophenyl)-phenylmethanone
CID 174845274
2,6-bis[(2-nitrophenyl)methylidene]cyclohexan-1-one
CID 577023

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2-nitrophenyl)methylidene]-1H-pyridine-3-carbohydrazide?
The IUPAC name of (2Z)-2-[(2-nitrophenyl)methylidene]-1H-pyridine-3-carbohydrazide (CID 70020792) is (2Z)-2-[(2-nitrophenyl)methylidene]-1H-pyridine-3-carbohydrazide.
What is the SMILES notation for (2Z)-2-[(2-nitrophenyl)methylidene]-1H-pyridine-3-carbohydrazide?
The canonical SMILES for (2Z)-2-[(2-nitrophenyl)methylidene]-1H-pyridine-3-carbohydrazide is NNC(=O)C1=CC=CN/C1=C\c1ccccc1[N+](=O)[O-].
What is the InChIKey of (2Z)-2-[(2-nitrophenyl)methylidene]-1H-pyridine-3-carbohydrazide?
The InChIKey is SPCRQYQSEIWLMK-FLIBITNWSA-N. The full InChI is InChI=1S/C13H12N4O3/c14-16-13(18)10-5-3-7-15-11(10)8-9-4-1-2-6-12(9)17(19)20/h1-8,15H,14H2,(H,16,18)/b11-8-.
What are the key properties of (2Z)-2-[(2-nitrophenyl)methylidene]-1H-pyridine-3-carbohydrazide?
(2Z)-2-[(2-nitrophenyl)methylidene]-1H-pyridine-3-carbohydrazide has a molecular weight of 272.26 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2-nitrophenyl)methylidene]-1H-pyridine-3-carbohydrazide is sourced from PubChem (CID 70020792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).