4-(3,5-dichlorophenoxy)pyridine-2-carboximidamide

C12H9Cl2N3O — CID 62925834

IUPAC4-(3,5-dichlorophenoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(Oc2cc(Cl)cc(Cl)c2)ccn1
InChIInChI=1S/C12H9Cl2N3O/c13-7-3-8(14)5-10(4-7)18-9-1-2-17-11(6-9)12(15)16/h1-6H,(H3,15,16)
InChIKeyYWCHHVCQOHSFSM-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.46
Rot. Bonds3

About 4-(3,5-dichlorophenoxy)pyridine-2-carboximidamide

4-(3,5-dichlorophenoxy)pyridine-2-carboximidamide (PubChem CID 62925834) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is 4-(3,5-dichlorophenoxy)pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-(3,5-dichlorophenoxy)pyridine-2-carboximidamide
PubChem CID62925834
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC Name4-(3,5-dichlorophenoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(Oc2cc(Cl)cc(Cl)c2)ccn1
InChIInChI=1S/C12H9Cl2N3O/c13-7-3-8(14)5-10(4-7)18-9-1-2-17-11(6-9)12(15)16/h1-6H,(H3,15,16)
InChIKeyYWCHHVCQOHSFSM-UHFFFAOYSA-N
XLogP3.46
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.46
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenoxy)pyridine-2-carboximidamide?
The IUPAC name of 4-(3,5-dichlorophenoxy)pyridine-2-carboximidamide (CID 62925834) is 4-(3,5-dichlorophenoxy)pyridine-2-carboximidamide.
What is the SMILES notation for 4-(3,5-dichlorophenoxy)pyridine-2-carboximidamide?
The canonical SMILES for 4-(3,5-dichlorophenoxy)pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(Oc2cc(Cl)cc(Cl)c2)ccn1.
What is the InChIKey of 4-(3,5-dichlorophenoxy)pyridine-2-carboximidamide?
The InChIKey is YWCHHVCQOHSFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c13-7-3-8(14)5-10(4-7)18-9-1-2-17-11(6-9)12(15)16/h1-6H,(H3,15,16).
What are the key properties of 4-(3,5-dichlorophenoxy)pyridine-2-carboximidamide?
4-(3,5-dichlorophenoxy)pyridine-2-carboximidamide has a molecular weight of 282.13 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenoxy)pyridine-2-carboximidamide is sourced from PubChem (CID 62925834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).