6-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide

C12H8Cl3N3O — CID 29293672

IUPAC6-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(Cl)c(Cl)cc2Cl)nc1
InChIInChI=1S/C12H8Cl3N3O/c13-7-3-9(15)10(4-8(7)14)19-11-2-1-6(5-18-11)12(16)17/h1-5H,(H3,16,17)
InChIKeyBMOYVZHETGILAM-UHFFFAOYSA-N
MW316.58 g/mol
LogP4.12
Rot. Bonds3

About 6-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide

6-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide (PubChem CID 29293672) has the molecular formula C12H8Cl3N3O and a molecular weight of 316.58 g/mol. Its IUPAC name is 6-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide
PubChem CID29293672
Molecular FormulaC12H8Cl3N3O
Molecular Weight316.58 g/mol
Exact Mass314.97
IUPAC Name6-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(Cl)c(Cl)cc2Cl)nc1
InChIInChI=1S/C12H8Cl3N3O/c13-7-3-9(15)10(4-8(7)14)19-11-2-1-6(5-18-11)12(16)17/h1-5H,(H3,16,17)
InChIKeyBMOYVZHETGILAM-UHFFFAOYSA-N
XLogP4.12
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.58
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-(2,5-dichlorophenoxy)pyridine-3-carboximidamide
CID 24694773
6-(2-chloro-4-fluorophenoxy)pyridine-3-carboximidamide
CID 54880716
6-(4-chloronaphthalen-1-yl)oxypyridine-3-carboximidamide
CID 43804673
6-(2-fluoro-5-methylphenoxy)pyridine-3-carboximidamide
CID 64855796
3-bromo-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide
CID 82799225
6-(2-nitrophenoxy)pyridine-3-carboximidamide
CID 54915069
6-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridine-3-carboximidamide
CID 107743265
6-(3-methylphenoxy)pyridine-3-carboximidamide
CID 24705712
6-(4-methoxy-2-nitrophenoxy)pyridine-3-carboximidamide
CID 61031687
6-(4-bromo-3-methylphenoxy)pyridine-3-carboximidamide
CID 83141115
6-(3-bromo-4-fluorophenoxy)pyridine-3-carboximidamide
CID 83235122
6-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 43364410

Frequently Asked Questions

What is the IUPAC name of 6-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide?
The IUPAC name of 6-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide (CID 29293672) is 6-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for 6-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide?
The canonical SMILES for 6-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(Oc2cc(Cl)c(Cl)cc2Cl)nc1.
What is the InChIKey of 6-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide?
The InChIKey is BMOYVZHETGILAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3N3O/c13-7-3-9(15)10(4-8(7)14)19-11-2-1-6(5-18-11)12(16)17/h1-5H,(H3,16,17).
What are the key properties of 6-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide?
6-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide has a molecular weight of 316.58 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 29293672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).