(2R)-1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol

C20H19N2O+ — CID 798463

IUPAC(2R)-1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol
SMILESO[C@H](Cn1c2ccccc2c2ccccc21)C[n+]1ccccc1
InChIInChI=1S/C20H19N2O/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/h1-13,16,23H,14-15H2/q+1/t16-/m0/s1
InChIKeyQQRLABYZKZTRQI-INIZCTEOSA-N
MW303.39 g/mol
LogP3.14
Rot. Bonds4

About (2R)-1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol

(2R)-1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol (PubChem CID 798463) has the molecular formula C20H19N2O+ and a molecular weight of 303.39 g/mol. Its IUPAC name is (2R)-1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol
PubChem CID798463
Molecular FormulaC20H19N2O+
Molecular Weight303.39 g/mol
Exact Mass303.15
IUPAC Name(2R)-1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol
SMILESO[C@H](Cn1c2ccccc2c2ccccc21)C[n+]1ccccc1
InChIInChI=1S/C20H19N2O/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/h1-13,16,23H,14-15H2/q+1/t16-/m0/s1
InChIKeyQQRLABYZKZTRQI-INIZCTEOSA-N
XLogP3.14
TPSA29.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2R)-1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol (CID 798463) is (2R)-1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol is O[C@H](Cn1c2ccccc2c2ccccc21)C[n+]1ccccc1.
What is the InChIKey of (2R)-1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol?
The InChIKey is QQRLABYZKZTRQI-INIZCTEOSA-N. The full InChI is InChI=1S/C20H19N2O/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/h1-13,16,23H,14-15H2/q+1/t16-/m0/s1.
What are the key properties of (2R)-1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol?
(2R)-1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol has a molecular weight of 303.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol is sourced from PubChem (CID 798463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).