1-carbazol-9-yl-3-(3-methylpyridin-1-ium-1-yl)propan-2-ol

C21H21N2O+ — CID 3142344

IUPAC1-carbazol-9-yl-3-(3-methylpyridin-1-ium-1-yl)propan-2-ol
SMILESCc1ccc[n+](CC(O)Cn2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C21H21N2O/c1-16-7-6-12-22(13-16)14-17(24)15-23-20-10-4-2-8-18(20)19-9-3-5-11-21(19)23/h2-13,17,24H,14-15H2,1H3/q+1
InChIKeyQDZONAZEMYQLHN-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.45
Rot. Bonds4

About 1-carbazol-9-yl-3-(3-methylpyridin-1-ium-1-yl)propan-2-ol

1-carbazol-9-yl-3-(3-methylpyridin-1-ium-1-yl)propan-2-ol (PubChem CID 3142344) has the molecular formula C21H21N2O+ and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-(3-methylpyridin-1-ium-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-(3-methylpyridin-1-ium-1-yl)propan-2-ol
PubChem CID3142344
Molecular FormulaC21H21N2O+
Molecular Weight317.41 g/mol
Exact Mass317.16
IUPAC Name1-carbazol-9-yl-3-(3-methylpyridin-1-ium-1-yl)propan-2-ol
SMILESCc1ccc[n+](CC(O)Cn2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C21H21N2O/c1-16-7-6-12-22(13-16)14-17(24)15-23-20-10-4-2-8-18(20)19-9-3-5-11-21(19)23/h2-13,17,24H,14-15H2,1H3/q+1
InChIKeyQDZONAZEMYQLHN-UHFFFAOYSA-N
XLogP3.45
TPSA29.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.45
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 1-carbazol-9-yl-3-(3-methylpyridin-1-ium-1-yl)propan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-(3-methylpyridin-1-ium-1-yl)propan-2-ol (CID 3142344) is 1-carbazol-9-yl-3-(3-methylpyridin-1-ium-1-yl)propan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-(3-methylpyridin-1-ium-1-yl)propan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-(3-methylpyridin-1-ium-1-yl)propan-2-ol is Cc1ccc[n+](CC(O)Cn2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 1-carbazol-9-yl-3-(3-methylpyridin-1-ium-1-yl)propan-2-ol?
The InChIKey is QDZONAZEMYQLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N2O/c1-16-7-6-12-22(13-16)14-17(24)15-23-20-10-4-2-8-18(20)19-9-3-5-11-21(19)23/h2-13,17,24H,14-15H2,1H3/q+1.
What are the key properties of 1-carbazol-9-yl-3-(3-methylpyridin-1-ium-1-yl)propan-2-ol?
1-carbazol-9-yl-3-(3-methylpyridin-1-ium-1-yl)propan-2-ol has a molecular weight of 317.41 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-3-(3-methylpyridin-1-ium-1-yl)propan-2-ol is sourced from PubChem (CID 3142344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).