5-[ethyl(methyl)amino]-2-iminopyridine-1-carboximidoyl chloride

C9H13ClN4 — CID 123670445

IUPAC5-[ethyl(methyl)amino]-2-iminopyridine-1-carboximidoyl chloride
SMILES[H]/N=C(\Cl)n1cc(N(C)CC)cc/c1=N\[H]
InChIInChI=1S/C9H13ClN4/c1-3-13(2)7-4-5-8(11)14(6-7)9(10)12/h4-6,11-12H,3H2,1-2H3/b11-8+,12-9+
InChIKeyISUTXBNJBYTGOU-HZOWPXDZSA-N
MW212.68 g/mol
LogP1.45
Rot. Bonds2

About 5-[ethyl(methyl)amino]-2-iminopyridine-1-carboximidoyl chloride

5-[ethyl(methyl)amino]-2-iminopyridine-1-carboximidoyl chloride (PubChem CID 123670445) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is 5-[ethyl(methyl)amino]-2-iminopyridine-1-carboximidoyl chloride.

Molecular Properties

Compound Name5-[ethyl(methyl)amino]-2-iminopyridine-1-carboximidoyl chloride
PubChem CID123670445
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC Name5-[ethyl(methyl)amino]-2-iminopyridine-1-carboximidoyl chloride
SMILES[H]/N=C(\Cl)n1cc(N(C)CC)cc/c1=N\[H]
InChIInChI=1S/C9H13ClN4/c1-3-13(2)7-4-5-8(11)14(6-7)9(10)12/h4-6,11-12H,3H2,1-2H3/b11-8+,12-9+
InChIKeyISUTXBNJBYTGOU-HZOWPXDZSA-N
XLogP1.45
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.45
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'}

Analyze 5-[ethyl(methyl)amino]-2-iminopyridine-1-carboximidoyl chloride 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-Prop-2-enylpyridin-2-imine;hydrobromide
CID 90654283
N-methylpyridonimine hydrochloride
CID 90654282
Pyridine, 1,2-dihydro-2-imino-1,6-dimethyl-
CID 86173652
Iminoquinolizine
CID 129799109
1-Prop-2-enylpyridin-2-imine
CID 10866378
1-Ethylpyridin-2(1H)-imine
CID 12924176
1-Tert-butylpyridin-2-imine
CID 58097190
1-Propan-2-ylpyridin-2-imine
CID 68347865
(Z)-(1-prop-1-en-2-yl-2-pyridinylidene)hydrazine
CID 88940997
1-[(Z)-prop-1-enyl]pyridin-2-imine
CID 89843153
1-Ethyl-2-iminopyridine hydroiodide
CID 121235171
1-Ethanimidoylpyridin-2-imine
CID 123241756

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(methyl)amino]-2-iminopyridine-1-carboximidoyl chloride?
The IUPAC name of 5-[ethyl(methyl)amino]-2-iminopyridine-1-carboximidoyl chloride (CID 123670445) is 5-[ethyl(methyl)amino]-2-iminopyridine-1-carboximidoyl chloride.
What is the SMILES notation for 5-[ethyl(methyl)amino]-2-iminopyridine-1-carboximidoyl chloride?
The canonical SMILES for 5-[ethyl(methyl)amino]-2-iminopyridine-1-carboximidoyl chloride is [H]/N=C(\Cl)n1cc(N(C)CC)cc/c1=N\[H].
What is the InChIKey of 5-[ethyl(methyl)amino]-2-iminopyridine-1-carboximidoyl chloride?
The InChIKey is ISUTXBNJBYTGOU-HZOWPXDZSA-N. The full InChI is InChI=1S/C9H13ClN4/c1-3-13(2)7-4-5-8(11)14(6-7)9(10)12/h4-6,11-12H,3H2,1-2H3/b11-8+,12-9+.
What are the key properties of 5-[ethyl(methyl)amino]-2-iminopyridine-1-carboximidoyl chloride?
5-[ethyl(methyl)amino]-2-iminopyridine-1-carboximidoyl chloride has a molecular weight of 212.68 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(methyl)amino]-2-iminopyridine-1-carboximidoyl chloride is sourced from PubChem (CID 123670445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).