6-chloro-2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid

C13H9ClN4O4 — CID 6138585

IUPAC6-chloro-2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1N/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H9ClN4O4/c14-11-6-5-10(13(19)20)12(16-11)17-15-7-8-1-3-9(4-2-8)18(21)22/h1-7H,(H,16,17)(H,19,20)/b15-7-
InChIKeyMNGOKZYKXMCTKU-CHHVJCJISA-N
MW320.69 g/mol
LogP2.79
Rot. Bonds5

About 6-chloro-2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid

6-chloro-2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid (PubChem CID 6138585) has the molecular formula C13H9ClN4O4 and a molecular weight of 320.69 g/mol. Its IUPAC name is 6-chloro-2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid
PubChem CID6138585
Molecular FormulaC13H9ClN4O4
Molecular Weight320.69 g/mol
Exact Mass320.03
IUPAC Name6-chloro-2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1N/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H9ClN4O4/c14-11-6-5-10(13(19)20)12(16-11)17-15-7-8-1-3-9(4-2-8)18(21)22/h1-7H,(H,16,17)(H,19,20)/b15-7-
InChIKeyMNGOKZYKXMCTKU-CHHVJCJISA-N
XLogP2.79
TPSA117.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.69
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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

6-chloro-2-[(4-nitrophenyl)methylamino]pyridine-3-carboxylic acid
CID 63379935
6-chloro-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid
CID 135504515
4-N-[(E)-(4-nitrophenyl)methylideneamino]-1-N-[(Z)-(4-nitrophenyl)methylideneamino]phthalazine-1,4-diamine
CID 98511539
4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]benzoic acid
CID 5065997
N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6163815
N-[(4-nitrophenyl)methylideneamino]-2-(trichloromethyl)quinazolin-4-amine
CID 4081353
4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate
CID 7329457
N-[(E)-benzylideneamino]-4-nitroaniline
CID 6436771
methyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate
CID 5417428
methyl N-[(4-nitrophenyl)methylideneamino]carbamate
CID 909440
methyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate
CID 6898768
4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]pyrimidin-2-amine
CID 1420807

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid (CID 6138585) is 6-chloro-2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(Cl)nc1N/N=C\c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 6-chloro-2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid?
The InChIKey is MNGOKZYKXMCTKU-CHHVJCJISA-N. The full InChI is InChI=1S/C13H9ClN4O4/c14-11-6-5-10(13(19)20)12(16-11)17-15-7-8-1-3-9(4-2-8)18(21)22/h1-7H,(H,16,17)(H,19,20)/b15-7-.
What are the key properties of 6-chloro-2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid?
6-chloro-2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid has a molecular weight of 320.69 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 6138585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).