4-methyl-5-nitropyridine-2-carboximidamide;hydrochloride

C7H9ClN4O2 — CID 53484979

IUPAC4-methyl-5-nitropyridine-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cc(C)c([N+](=O)[O-])cn1
InChIInChI=1S/C7H8N4O2.ClH/c1-4-2-5(7(8)9)10-3-6(4)11(12)13;/h2-3H,1H3,(H3,8,9);1H
InChIKeyOHWGPHUVNLNANF-UHFFFAOYSA-N
MW216.63 g/mol
LogP1.00
Rot. Bonds2

About 4-methyl-5-nitropyridine-2-carboximidamide;hydrochloride

4-methyl-5-nitropyridine-2-carboximidamide;hydrochloride (PubChem CID 53484979) has the molecular formula C7H9ClN4O2 and a molecular weight of 216.63 g/mol. Its IUPAC name is 4-methyl-5-nitropyridine-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-5-nitropyridine-2-carboximidamide;hydrochloride
PubChem CID53484979
Molecular FormulaC7H9ClN4O2
Molecular Weight216.63 g/mol
Exact Mass216.04
IUPAC Name4-methyl-5-nitropyridine-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cc(C)c([N+](=O)[O-])cn1
InChIInChI=1S/C7H8N4O2.ClH/c1-4-2-5(7(8)9)10-3-6(4)11(12)13;/h2-3H,1H3,(H3,8,9);1H
InChIKeyOHWGPHUVNLNANF-UHFFFAOYSA-N
XLogP1.00
TPSA105.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.63
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-methyl-5-nitropyridine-2-carboximidamide;hydrochloride 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

1-(4-methyl-5-nitro-2-pyridinyl)ethanone
CID 59855834
5-(5-methoxy-2-nitrophenoxy)pyridine-2-carboximidamide
CID 102702745
3-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine-2-carboximidamide
CID 114416866
4-methyl-5-nitropyridine-2-carbaldehyde
CID 14570994
2-(2,6-dimethylphenyl)-4-methyl-5-nitropyridine
CID 67152544
2-[(4-methyl-5-nitro-2-pyridinyl)sulfanyl]propan-1-ol
CID 115669183
4-methyl-5-nitro-2-(trifluoromethyl)pyridine
CID 53414275
2-nitrobenzenecarboximidamide;hydrochloride
CID 21271815
N-[(4-methyl-5-nitro-2-pyridinyl)methylidene]hydroxylamine
CID 137239122
(1S)-1-(4-methyl-5-nitro-2-pyridinyl)propan-1-amine
CID 130624745
ethane;3-methyl-1,7-naphthyridine-6-carboximidamide
CID 172622984
7-(4-methyl-5-nitro-2-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 59316236

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-nitropyridine-2-carboximidamide;hydrochloride?
The IUPAC name of 4-methyl-5-nitropyridine-2-carboximidamide;hydrochloride (CID 53484979) is 4-methyl-5-nitropyridine-2-carboximidamide;hydrochloride.
What is the SMILES notation for 4-methyl-5-nitropyridine-2-carboximidamide;hydrochloride?
The canonical SMILES for 4-methyl-5-nitropyridine-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cc(C)c([N+](=O)[O-])cn1.
What is the InChIKey of 4-methyl-5-nitropyridine-2-carboximidamide;hydrochloride?
The InChIKey is OHWGPHUVNLNANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2.ClH/c1-4-2-5(7(8)9)10-3-6(4)11(12)13;/h2-3H,1H3,(H3,8,9);1H.
What are the key properties of 4-methyl-5-nitropyridine-2-carboximidamide;hydrochloride?
4-methyl-5-nitropyridine-2-carboximidamide;hydrochloride has a molecular weight of 216.63 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-nitropyridine-2-carboximidamide;hydrochloride is sourced from PubChem (CID 53484979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).