4,6-dichloro-3-methanimidoyl-N-propan-2-ylpyridin-2-amine

C9H11Cl2N3 — CID 144708530

IUPAC4,6-dichloro-3-methanimidoyl-N-propan-2-ylpyridin-2-amine
SMILES[H]/N=C/c1c(Cl)cc(Cl)nc1NC(C)C
InChIInChI=1S/C9H11Cl2N3/c1-5(2)13-9-6(4-12)7(10)3-8(11)14-9/h3-5,12H,1-2H3,(H,13,14)/b12-4+
InChIKeyYFVCNZKOTVTGQE-UUILKARUSA-N
MW232.11 g/mol
LogP3.21
Rot. Bonds3

About 4,6-dichloro-3-methanimidoyl-N-propan-2-ylpyridin-2-amine

4,6-dichloro-3-methanimidoyl-N-propan-2-ylpyridin-2-amine (PubChem CID 144708530) has the molecular formula C9H11Cl2N3 and a molecular weight of 232.11 g/mol. Its IUPAC name is 4,6-dichloro-3-methanimidoyl-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-3-methanimidoyl-N-propan-2-ylpyridin-2-amine
PubChem CID144708530
Molecular FormulaC9H11Cl2N3
Molecular Weight232.11 g/mol
Exact Mass231.03
IUPAC Name4,6-dichloro-3-methanimidoyl-N-propan-2-ylpyridin-2-amine
SMILES[H]/N=C/c1c(Cl)cc(Cl)nc1NC(C)C
InChIInChI=1S/C9H11Cl2N3/c1-5(2)13-9-6(4-12)7(10)3-8(11)14-9/h3-5,12H,1-2H3,(H,13,14)/b12-4+
InChIKeyYFVCNZKOTVTGQE-UUILKARUSA-N
XLogP3.21
TPSA48.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-3-methanimidoyl-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 4,6-dichloro-3-methanimidoyl-N-propan-2-ylpyridin-2-amine (CID 144708530) is 4,6-dichloro-3-methanimidoyl-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 4,6-dichloro-3-methanimidoyl-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 4,6-dichloro-3-methanimidoyl-N-propan-2-ylpyridin-2-amine is [H]/N=C/c1c(Cl)cc(Cl)nc1NC(C)C.
What is the InChIKey of 4,6-dichloro-3-methanimidoyl-N-propan-2-ylpyridin-2-amine?
The InChIKey is YFVCNZKOTVTGQE-UUILKARUSA-N. The full InChI is InChI=1S/C9H11Cl2N3/c1-5(2)13-9-6(4-12)7(10)3-8(11)14-9/h3-5,12H,1-2H3,(H,13,14)/b12-4+.
What are the key properties of 4,6-dichloro-3-methanimidoyl-N-propan-2-ylpyridin-2-amine?
4,6-dichloro-3-methanimidoyl-N-propan-2-ylpyridin-2-amine has a molecular weight of 232.11 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-3-methanimidoyl-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 144708530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).