1-(2-aminoethyl)-6-chloro-N-(4,5-dichloro-2-pyridinyl)-9H-carbazol-3-amine

C₁₉H₁₅Cl₃N₄ — CID 171793183

About 1-(2-aminoethyl)-6-chloro-N-(4,5-dichloro-2-pyridinyl)-9H-carbazol-3-amine

1-(2-aminoethyl)-6-chloro-N-(4,5-dichloro-2-pyridinyl)-9H-carbazol-3-amine (PubChem CID 171793183) has the molecular formula C₁₉H₁₅Cl₃N₄ and a molecular weight of 405.72 g/mol. Its IUPAC name is 1-(2-aminoethyl)-6-chloro-N-(4,5-dichloro-2-pyridinyl)-9H-carbazol-3-amine.

Molecular Properties

• Compound Name: 1-(2-aminoethyl)-6-chloro-N-(4,5-dichloro-2-pyridinyl)-9H-carbazol-3-amine
• PubChem CID: 171793183
• Molecular Formula: C₁₉H₁₅Cl₃N₄
• Molecular Weight: 405.72 g/mol
• Exact Mass: 404.04
• IUPAC Name: 1-(2-aminoethyl)-6-chloro-N-(4,5-dichloro-2-pyridinyl)-9H-carbazol-3-amine
• SMILES: NCCc1cc(Nc2cc(Cl)c(Cl)cn2)cc2c1[nH]c1ccc(Cl)cc12
• InChI: InChI=1S/C19H15Cl3N4/c20-11-1-2-17-13(6-11)14-7-12(5-10(3-4-23)19(14)26-17)25-18-8-15(21)16(22)9-24-18/h1-2,5-9,26H,3-4,23H2,(H,24,25)
• InChIKey: UHGZBYZZOBKSBH-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 66.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	405.72
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-6-chloro-N-(4,5-dichloro-2-pyridinyl)-9H-carbazol-3-amine?

The IUPAC name of 1-(2-aminoethyl)-6-chloro-N-(4,5-dichloro-2-pyridinyl)-9H-carbazol-3-amine (CID 171793183) is 1-(2-aminoethyl)-6-chloro-N-(4,5-dichloro-2-pyridinyl)-9H-carbazol-3-amine.

What is the SMILES notation for 1-(2-aminoethyl)-6-chloro-N-(4,5-dichloro-2-pyridinyl)-9H-carbazol-3-amine?

The canonical SMILES for 1-(2-aminoethyl)-6-chloro-N-(4,5-dichloro-2-pyridinyl)-9H-carbazol-3-amine is NCCc1cc(Nc2cc(Cl)c(Cl)cn2)cc2c1[nH]c1ccc(Cl)cc12.

What is the InChIKey of 1-(2-aminoethyl)-6-chloro-N-(4,5-dichloro-2-pyridinyl)-9H-carbazol-3-amine?

The InChIKey is UHGZBYZZOBKSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3N4/c20-11-1-2-17-13(6-11)14-7-12(5-10(3-4-23)19(14)26-17)25-18-8-15(21)16(22)9-24-18/h1-2,5-9,26H,3-4,23H2,(H,24,25).

What are the key properties of 1-(2-aminoethyl)-6-chloro-N-(4,5-dichloro-2-pyridinyl)-9H-carbazol-3-amine?

1-(2-aminoethyl)-6-chloro-N-(4,5-dichloro-2-pyridinyl)-9H-carbazol-3-amine has a molecular weight of 405.72 g/mol, XLogP of 5.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-aminoethyl)-6-chloro-N-(4,5-dichloro-2-pyridinyl)-9H-carbazol-3-amine is sourced from PubChem (CID 171793183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171793183 — identifiers, structure, computed properties (public domain)

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