3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide

C11H16ClN3O — CID 107060633

IUPAC3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(OC(C)C(C)C)c1Cl
InChIInChI=1S/C11H16ClN3O/c1-6(2)7(3)16-11-9(12)8(10(13)14)4-5-15-11/h4-7H,1-3H3,(H3,13,14)
InChIKeyHLZKWKVGFCJOPP-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.44
Rot. Bonds4

About 3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide

3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide (PubChem CID 107060633) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide
PubChem CID107060633
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(OC(C)C(C)C)c1Cl
InChIInChI=1S/C11H16ClN3O/c1-6(2)7(3)16-11-9(12)8(10(13)14)4-5-15-11/h4-7H,1-3H3,(H3,13,14)
InChIKeyHLZKWKVGFCJOPP-UHFFFAOYSA-N
XLogP2.44
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide 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

3-chloro-2-(4-methylpentoxy)pyridine-4-carboximidamide
CID 107060531
3-chloro-2-octoxypyridine-4-carboximidamide
CID 107060534
3-chloro-2-phenylmethoxypyridine-4-carboximidamide
CID 107060468
3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide
CID 107060606
3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-4-carboximidamide
CID 102740205
3-chloro-2-(4-fluoro-3-methylphenoxy)pyridine-4-carboximidamide
CID 107060638
3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide
CID 107060553
3-chloro-2-(3-fluorophenoxy)pyridine-4-carboximidamide
CID 107060457
3-chloro-2-(2-methoxyphenyl)sulfanylpyridine-4-carboximidamide
CID 107060943
3-chloro-2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carboximidamide
CID 107060519
3-chloro-2-(2,3-dimethoxypropylamino)pyridine-4-carboximidamide
CID 114100399
3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboximidamide
CID 107060104

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide (CID 107060633) is 3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(OC(C)C(C)C)c1Cl.
What is the InChIKey of 3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide?
The InChIKey is HLZKWKVGFCJOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-6(2)7(3)16-11-9(12)8(10(13)14)4-5-15-11/h4-7H,1-3H3,(H3,13,14).
What are the key properties of 3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide?
3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide has a molecular weight of 241.72 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide is sourced from PubChem (CID 107060633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).