2-[(6-chloro-3-pyridinyl)methyl]-1-methyl-1-(2-nitroethenyl)hydrazine

C9H11ClN4O2 — CID 173270055

IUPAC2-[(6-chloro-3-pyridinyl)methyl]-1-methyl-1-(2-nitroethenyl)hydrazine
SMILESCN(C=C[N+](=O)[O-])NCc1ccc(Cl)nc1
InChIInChI=1S/C9H11ClN4O2/c1-13(4-5-14(15)16)12-7-8-2-3-9(10)11-6-8/h2-6,12H,7H2,1H3
InChIKeyVIGPGVXIQGTZCQ-UHFFFAOYSA-N
MW242.67 g/mol
LogP1.42
Rot. Bonds5

About 2-[(6-chloro-3-pyridinyl)methyl]-1-methyl-1-(2-nitroethenyl)hydrazine

2-[(6-chloro-3-pyridinyl)methyl]-1-methyl-1-(2-nitroethenyl)hydrazine (PubChem CID 173270055) has the molecular formula C9H11ClN4O2 and a molecular weight of 242.67 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)methyl]-1-methyl-1-(2-nitroethenyl)hydrazine.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)methyl]-1-methyl-1-(2-nitroethenyl)hydrazine
PubChem CID173270055
Molecular FormulaC9H11ClN4O2
Molecular Weight242.67 g/mol
Exact Mass242.06
IUPAC Name2-[(6-chloro-3-pyridinyl)methyl]-1-methyl-1-(2-nitroethenyl)hydrazine
SMILESCN(C=C[N+](=O)[O-])NCc1ccc(Cl)nc1
InChIInChI=1S/C9H11ClN4O2/c1-13(4-5-14(15)16)12-7-8-2-3-9(10)11-6-8/h2-6,12H,7H2,1H3
InChIKeyVIGPGVXIQGTZCQ-UHFFFAOYSA-N
XLogP1.42
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.67
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl]-1-methyl-1-(2-nitroethenyl)hydrazine?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl]-1-methyl-1-(2-nitroethenyl)hydrazine (CID 173270055) is 2-[(6-chloro-3-pyridinyl)methyl]-1-methyl-1-(2-nitroethenyl)hydrazine.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)methyl]-1-methyl-1-(2-nitroethenyl)hydrazine?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)methyl]-1-methyl-1-(2-nitroethenyl)hydrazine is CN(C=C[N+](=O)[O-])NCc1ccc(Cl)nc1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)methyl]-1-methyl-1-(2-nitroethenyl)hydrazine?
The InChIKey is VIGPGVXIQGTZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2/c1-13(4-5-14(15)16)12-7-8-2-3-9(10)11-6-8/h2-6,12H,7H2,1H3.
What are the key properties of 2-[(6-chloro-3-pyridinyl)methyl]-1-methyl-1-(2-nitroethenyl)hydrazine?
2-[(6-chloro-3-pyridinyl)methyl]-1-methyl-1-(2-nitroethenyl)hydrazine has a molecular weight of 242.67 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)methyl]-1-methyl-1-(2-nitroethenyl)hydrazine is sourced from PubChem (CID 173270055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).