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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[(6-chloro-3-pyridinyl)methyl-methylamino]-[(E)-2-nitroethenyl]amino]methanamine
CID 139880932
(Z)-1-N-[(6-chloro-3-pyridinyl)methyl]-1-N',1-N'-dimethyl-2-nitroethene-1,1-diamine
CID 18649378
(E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-2-nitroethene-1,1-diamine
CID 19913012
methyl N-[[(E)-1-[(6-chloro-3-pyridinyl)methylamino]-2-nitroethenyl]amino]carbamate
CID 15477293
(E)-3-(6-chloro-3-pyridinyl)-1-nitro-N-propylprop-1-en-2-amine
CID 87286551
(Z)-1-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-ethyl-2-nitroethenamine
CID 139215049
1-[(6-chloro-3-pyridinyl)methyl]-3-methyl-2-nitroguanidine
CID 135537100
(E)-3-(6-chloro-3-pyridinyl)-1-nitroprop-1-en-2-amine;ethane
CID 142918977
N-[(Z)-1-[(6-chloro-3-pyridinyl)methylamino]-2-nitroethenyl]-N-methylformamide;N-[(6-chloro-3-pyridinyl)methyl]-N-[(Z)-1-(methylamino)-2-nitroethenyl]formamide
CID 157130346
1-[(6-chloro-3-pyridinyl)methyl]-2-nitroguanidine
CID 137137661
3-[(6-chloro-3-pyridinyl)methyl-methylamino]-1-nitroprop-1-ene-2-sulfonic acid
CID 174295631
N'-[1-[(6-chloro-3-pyridinyl)methyl-methylamino]-2-nitroethenyl]-N,N-dimethylmethanimidamide
CID 54359798

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).