1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol perchlorate

C20H19ClN2O5 — CID 2887603

IUPAC1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol perchlorate
SMILESOC(Cn1c2ccccc2c2ccccc21)C[n+]1ccccc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C20H19N2O.ClHO4/c23-16(14-21-12-6-1-7-13-21)15-22-19-10-4-2-8-17(19)18-9-3-5-11-20(18)22;2-1(3,4)5/h1-13,16,23H,14-15H2;(H,2,3,4,5)/q+1;/p-1
InChIKeyHZLYOVSCXBEWQA-UHFFFAOYSA-M
MW402.83 g/mol
LogP-1.61
Rot. Bonds4

About 1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol perchlorate

1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol perchlorate (PubChem CID 2887603) has the molecular formula C20H19ClN2O5 and a molecular weight of 402.83 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol perchlorate.

Molecular Properties

Compound Name1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol perchlorate
PubChem CID2887603
Molecular FormulaC20H19ClN2O5
Molecular Weight402.83 g/mol
Exact Mass402.10
IUPAC Name1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol perchlorate
SMILESOC(Cn1c2ccccc2c2ccccc21)C[n+]1ccccc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C20H19N2O.ClHO4/c23-16(14-21-12-6-1-7-13-21)15-22-19-10-4-2-8-17(19)18-9-3-5-11-20(18)22;2-1(3,4)5/h1-13,16,23H,14-15H2;(H,2,3,4,5)/q+1;/p-1
InChIKeyHZLYOVSCXBEWQA-UHFFFAOYSA-M
XLogP-1.61
TPSA121.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.83
LogP ≤ 5-1.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol perchlorate?
The IUPAC name of 1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol perchlorate (CID 2887603) is 1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol perchlorate.
What is the SMILES notation for 1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol perchlorate?
The canonical SMILES for 1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol perchlorate is OC(Cn1c2ccccc2c2ccccc21)C[n+]1ccccc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol perchlorate?
The InChIKey is HZLYOVSCXBEWQA-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H19N2O.ClHO4/c23-16(14-21-12-6-1-7-13-21)15-22-19-10-4-2-8-17(19)18-9-3-5-11-20(18)22;2-1(3,4)5/h1-13,16,23H,14-15H2;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol perchlorate?
1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol perchlorate has a molecular weight of 402.83 g/mol, XLogP of -1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol perchlorate is sourced from PubChem (CID 2887603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).