1-ethoxy-2-(9H-fluoren-9-yl)pyridin-1-ium

C20H18NO+ — CID 139778278

IUPAC1-ethoxy-2-(9H-fluoren-9-yl)pyridin-1-ium
SMILESCCO[n+]1ccccc1C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H18NO/c1-2-22-21-14-8-7-13-19(21)20-17-11-5-3-9-15(17)16-10-4-6-12-18(16)20/h3-14,20H,2H2,1H3/q+1
InChIKeyHKCFUKXMLULSLS-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.58
Rot. Bonds3

About 1-ethoxy-2-(9H-fluoren-9-yl)pyridin-1-ium

1-ethoxy-2-(9H-fluoren-9-yl)pyridin-1-ium (PubChem CID 139778278) has the molecular formula C20H18NO+ and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-ethoxy-2-(9H-fluoren-9-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-ethoxy-2-(9H-fluoren-9-yl)pyridin-1-ium
PubChem CID139778278
Molecular FormulaC20H18NO+
Molecular Weight288.37 g/mol
Exact Mass288.14
IUPAC Name1-ethoxy-2-(9H-fluoren-9-yl)pyridin-1-ium
SMILESCCO[n+]1ccccc1C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H18NO/c1-2-22-21-14-8-7-13-19(21)20-17-11-5-3-9-15(17)16-10-4-6-12-18(16)20/h3-14,20H,2H2,1H3/q+1
InChIKeyHKCFUKXMLULSLS-UHFFFAOYSA-N
XLogP3.58
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-ethoxypyridin-1-ium-2-yl)-2-fluoroethanone
CID 139778032
lithium 9-ethyl-9H-fluorene
CID 23225742
9-(2-methoxyphenyl)-9H-fluorene
CID 10492416
ethane;2,26,27-triazoniaoctacyclo[12.12.12.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2,4,6,8,10,12,15,17,19,21,23,25,27,29,31,33,35,37-octadecaene
CID 177317757
9-phenyl-9H-fluorene
CID 13091
1-(9H-fluoren-9-yl)propan-1-amine
CID 79308072
ethyl N-carbamoyloxy-N-(9H-fluoren-9-ylmethyl)carbamate
CID 134586711
ethane;bis(pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene)
CID 167587825
ethyl 2-(9H-fluoren-9-yl)-3-methylbutanoate
CID 141437716
N-(3-ethoxycyclobutyl)-9H-fluoren-9-amine
CID 103920873
1-[2-(9H-fluoren-9-yl)phenyl]-N,N-dimethylmethanamine
CID 14710159
1-ethoxy-2-[4-(trifluoromethyl)phenyl]pyridin-1-ium tetrafluoroborate
CID 162406573

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-(9H-fluoren-9-yl)pyridin-1-ium?
The IUPAC name of 1-ethoxy-2-(9H-fluoren-9-yl)pyridin-1-ium (CID 139778278) is 1-ethoxy-2-(9H-fluoren-9-yl)pyridin-1-ium.
What is the SMILES notation for 1-ethoxy-2-(9H-fluoren-9-yl)pyridin-1-ium?
The canonical SMILES for 1-ethoxy-2-(9H-fluoren-9-yl)pyridin-1-ium is CCO[n+]1ccccc1C1c2ccccc2-c2ccccc21.
What is the InChIKey of 1-ethoxy-2-(9H-fluoren-9-yl)pyridin-1-ium?
The InChIKey is HKCFUKXMLULSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18NO/c1-2-22-21-14-8-7-13-19(21)20-17-11-5-3-9-15(17)16-10-4-6-12-18(16)20/h3-14,20H,2H2,1H3/q+1.
What are the key properties of 1-ethoxy-2-(9H-fluoren-9-yl)pyridin-1-ium?
1-ethoxy-2-(9H-fluoren-9-yl)pyridin-1-ium has a molecular weight of 288.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-(9H-fluoren-9-yl)pyridin-1-ium is sourced from PubChem (CID 139778278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).