3-chloro-2-(4-methylpentoxy)pyridine-4-carboximidamide

C12H18ClN3O — CID 107060531

IUPAC3-chloro-2-(4-methylpentoxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(OCCCC(C)C)c1Cl
InChIInChI=1S/C12H18ClN3O/c1-8(2)4-3-7-17-12-10(13)9(11(14)15)5-6-16-12/h5-6,8H,3-4,7H2,1-2H3,(H3,14,15)
InChIKeyBZXLWKPUAJPWFC-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.83
Rot. Bonds6

About 3-chloro-2-(4-methylpentoxy)pyridine-4-carboximidamide

3-chloro-2-(4-methylpentoxy)pyridine-4-carboximidamide (PubChem CID 107060531) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 3-chloro-2-(4-methylpentoxy)pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-(4-methylpentoxy)pyridine-4-carboximidamide
PubChem CID107060531
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name3-chloro-2-(4-methylpentoxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(OCCCC(C)C)c1Cl
InChIInChI=1S/C12H18ClN3O/c1-8(2)4-3-7-17-12-10(13)9(11(14)15)5-6-16-12/h5-6,8H,3-4,7H2,1-2H3,(H3,14,15)
InChIKeyBZXLWKPUAJPWFC-UHFFFAOYSA-N
XLogP2.83
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-octoxypyridine-4-carboximidamide
CID 107060534
3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide
CID 107060633
3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-4-carboximidamide
CID 102740205
2-(4-methylpentoxy)benzenecarboximidamide
CID 29002875
3-chloro-2-phenylmethoxypyridine-4-carboximidamide
CID 107060468
3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboximidamide
CID 107060104
3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide
CID 107060606
3-chloro-2-(4-fluoro-3-methylphenoxy)pyridine-4-carboximidamide
CID 107060638
3-chloro-2-(2,3-dimethoxypropylamino)pyridine-4-carboximidamide
CID 114100399
2-[bis(2-ethoxyethyl)amino]-3-chloropyridine-4-carboximidamide
CID 107060364
3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide
CID 107060553
2-hexoxypyridine-3-carboximidamide
CID 29002899

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-methylpentoxy)pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-(4-methylpentoxy)pyridine-4-carboximidamide (CID 107060531) is 3-chloro-2-(4-methylpentoxy)pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-(4-methylpentoxy)pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-(4-methylpentoxy)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(OCCCC(C)C)c1Cl.
What is the InChIKey of 3-chloro-2-(4-methylpentoxy)pyridine-4-carboximidamide?
The InChIKey is BZXLWKPUAJPWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8(2)4-3-7-17-12-10(13)9(11(14)15)5-6-16-12/h5-6,8H,3-4,7H2,1-2H3,(H3,14,15).
What are the key properties of 3-chloro-2-(4-methylpentoxy)pyridine-4-carboximidamide?
3-chloro-2-(4-methylpentoxy)pyridine-4-carboximidamide has a molecular weight of 255.75 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-methylpentoxy)pyridine-4-carboximidamide is sourced from PubChem (CID 107060531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).