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

C19H15Cl3N4 — CID 171793183

IUPAC1-(2-aminoethyl)-6-chloro-N-(4,5-dichloro-2-pyridinyl)-9H-carbazol-3-amine
SMILESNCCc1cc(Nc2cc(Cl)c(Cl)cn2)cc2c1[nH]c1ccc(Cl)cc12
InChIInChI=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)
InChIKeyUHGZBYZZOBKSBH-UHFFFAOYSA-N
MW405.72 g/mol
LogP5.92
Rot. Bonds4

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 Name1-(2-aminoethyl)-6-chloro-N-(4,5-dichloro-2-pyridinyl)-9H-carbazol-3-amine
PubChem CID171793183
Molecular FormulaC19H15Cl3N4
Molecular Weight405.72 g/mol
Exact Mass404.04
IUPAC Name1-(2-aminoethyl)-6-chloro-N-(4,5-dichloro-2-pyridinyl)-9H-carbazol-3-amine
SMILESNCCc1cc(Nc2cc(Cl)c(Cl)cn2)cc2c1[nH]c1ccc(Cl)cc12
InChIInChI=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)
InChIKeyUHGZBYZZOBKSBH-UHFFFAOYSA-N
XLogP5.92
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.72
LogP ≤ 55.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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).