2-[3-(aminomethyl)pyridin-1-ium-1-yl]-1-(9H-fluoren-2-yl)ethanone

C21H19N2O+ — CID 170875559

IUPAC2-[3-(aminomethyl)pyridin-1-ium-1-yl]-1-(9H-fluoren-2-yl)ethanone
SMILESNCc1ccc[n+](CC(=O)c2ccc3c(c2)Cc2ccccc2-3)c1
InChIInChI=1S/C21H19N2O/c22-12-15-4-3-9-23(13-15)14-21(24)17-7-8-20-18(11-17)10-16-5-1-2-6-19(16)20/h1-9,11,13H,10,12,14,22H2/q+1
InChIKeySBVDWQLMBQEDPM-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.89
Rot. Bonds4

About 2-[3-(aminomethyl)pyridin-1-ium-1-yl]-1-(9H-fluoren-2-yl)ethanone

2-[3-(aminomethyl)pyridin-1-ium-1-yl]-1-(9H-fluoren-2-yl)ethanone (PubChem CID 170875559) has the molecular formula C21H19N2O+ and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pyridin-1-ium-1-yl]-1-(9H-fluoren-2-yl)ethanone.

Molecular Properties

Compound Name2-[3-(aminomethyl)pyridin-1-ium-1-yl]-1-(9H-fluoren-2-yl)ethanone
PubChem CID170875559
Molecular FormulaC21H19N2O+
Molecular Weight315.40 g/mol
Exact Mass315.15
IUPAC Name2-[3-(aminomethyl)pyridin-1-ium-1-yl]-1-(9H-fluoren-2-yl)ethanone
SMILESNCc1ccc[n+](CC(=O)c2ccc3c(c2)Cc2ccccc2-3)c1
InChIInChI=1S/C21H19N2O/c22-12-15-4-3-9-23(13-15)14-21(24)17-7-8-20-18(11-17)10-16-5-1-2-6-19(16)20/h1-9,11,13H,10,12,14,22H2/q+1
InChIKeySBVDWQLMBQEDPM-UHFFFAOYSA-N
XLogP2.89
TPSA46.97 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.89
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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Related Compounds

1-(9H-fluoren-2-yl)-2-(2-methylpyridin-1-ium-1-yl)ethanone;hydrobromide
CID 126960798
1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione
CID 132527641
9H-fluorene-2-carboxamide;hydrochloride
CID 21224790
(2E)-1-(9H-fluoren-2-yl)-2-hydrazinylideneethanone
CID 43835389
[3-(9H-fluorene-2-carbonyl)phenyl]-(9H-fluoren-2-yl)methanone
CID 10552019
[1-(9H-fluoren-2-yl)ethylideneamino] 2-phenylacetate
CID 76708620
2-(9H-indeno[2,1-b]pyridin-1-ium-1-yl)-1-phenylethanone
CID 12578832
9H-fluoren-2-yl-(4-phenylphenyl)methanone
CID 91678788
[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7502110
1-(3,4-difluorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone
CID 8773426
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2445435
1-(9H-fluoren-2-yl)-2-isoquinolin-1-ylethanone
CID 53443148

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pyridin-1-ium-1-yl]-1-(9H-fluoren-2-yl)ethanone?
The IUPAC name of 2-[3-(aminomethyl)pyridin-1-ium-1-yl]-1-(9H-fluoren-2-yl)ethanone (CID 170875559) is 2-[3-(aminomethyl)pyridin-1-ium-1-yl]-1-(9H-fluoren-2-yl)ethanone.
What is the SMILES notation for 2-[3-(aminomethyl)pyridin-1-ium-1-yl]-1-(9H-fluoren-2-yl)ethanone?
The canonical SMILES for 2-[3-(aminomethyl)pyridin-1-ium-1-yl]-1-(9H-fluoren-2-yl)ethanone is NCc1ccc[n+](CC(=O)c2ccc3c(c2)Cc2ccccc2-3)c1.
What is the InChIKey of 2-[3-(aminomethyl)pyridin-1-ium-1-yl]-1-(9H-fluoren-2-yl)ethanone?
The InChIKey is SBVDWQLMBQEDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N2O/c22-12-15-4-3-9-23(13-15)14-21(24)17-7-8-20-18(11-17)10-16-5-1-2-6-19(16)20/h1-9,11,13H,10,12,14,22H2/q+1.
What are the key properties of 2-[3-(aminomethyl)pyridin-1-ium-1-yl]-1-(9H-fluoren-2-yl)ethanone?
2-[3-(aminomethyl)pyridin-1-ium-1-yl]-1-(9H-fluoren-2-yl)ethanone has a molecular weight of 315.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pyridin-1-ium-1-yl]-1-(9H-fluoren-2-yl)ethanone is sourced from PubChem (CID 170875559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).