1-(9H-fluoren-2-yl)-2-(2-methylpyridin-1-ium-1-yl)ethanone;hydrobromide

C21H19BrNO+ — CID 126960798

IUPAC1-(9H-fluoren-2-yl)-2-(2-methylpyridin-1-ium-1-yl)ethanone;hydrobromide
SMILESBr.Cc1cccc[n+]1CC(=O)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C21H18NO.BrH/c1-15-6-4-5-11-22(15)14-21(23)17-9-10-20-18(13-17)12-16-7-2-3-8-19(16)20;/h2-11,13H,12,14H2,1H3;1H/q+1;
InChIKeyIMQPDMILGJECPY-UHFFFAOYSA-N
MW381.29 g/mol
LogP4.31
Rot. Bonds3

About 1-(9H-fluoren-2-yl)-2-(2-methylpyridin-1-ium-1-yl)ethanone;hydrobromide

1-(9H-fluoren-2-yl)-2-(2-methylpyridin-1-ium-1-yl)ethanone;hydrobromide (PubChem CID 126960798) has the molecular formula C21H19BrNO+ and a molecular weight of 381.29 g/mol. Its IUPAC name is 1-(9H-fluoren-2-yl)-2-(2-methylpyridin-1-ium-1-yl)ethanone;hydrobromide.

Molecular Properties

Compound Name1-(9H-fluoren-2-yl)-2-(2-methylpyridin-1-ium-1-yl)ethanone;hydrobromide
PubChem CID126960798
Molecular FormulaC21H19BrNO+
Molecular Weight381.29 g/mol
Exact Mass380.06
IUPAC Name1-(9H-fluoren-2-yl)-2-(2-methylpyridin-1-ium-1-yl)ethanone;hydrobromide
SMILESBr.Cc1cccc[n+]1CC(=O)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C21H18NO.BrH/c1-15-6-4-5-11-22(15)14-21(23)17-9-10-20-18(13-17)12-16-7-2-3-8-19(16)20;/h2-11,13H,12,14H2,1H3;1H/q+1;
InChIKeyIMQPDMILGJECPY-UHFFFAOYSA-N
XLogP4.31
TPSA20.95 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.29
LogP ≤ 54.31
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

2-(2-methylpyridin-1-ium-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone bromide
CID 45112216
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CID 17372803
1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione
CID 132527641
2-(2-methylpyridin-1-ium-1-yl)-1-phenylethanone iodide
CID 14438048
1-(4-chlorophenyl)-2-(2-methylpyridin-1-ium-1-yl)ethanone
CID 3128667
2-[3-(aminomethyl)pyridin-1-ium-1-yl]-1-(9H-fluoren-2-yl)ethanone
CID 170875559
2-(9H-indeno[2,1-b]pyridin-1-ium-1-yl)-1-phenylethanone
CID 12578832
9H-fluorene-2-carboxamide;hydrochloride
CID 21224790
[3-(9H-fluorene-2-carbonyl)phenyl]-(9H-fluoren-2-yl)methanone
CID 10552019
CID 91092695
CID 91092695
(3S)-3-[2-(9H-fluoren-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 27183391
1-(9H-fluoren-3-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone
CID 2383043

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-2-yl)-2-(2-methylpyridin-1-ium-1-yl)ethanone;hydrobromide?
The IUPAC name of 1-(9H-fluoren-2-yl)-2-(2-methylpyridin-1-ium-1-yl)ethanone;hydrobromide (CID 126960798) is 1-(9H-fluoren-2-yl)-2-(2-methylpyridin-1-ium-1-yl)ethanone;hydrobromide.
What is the SMILES notation for 1-(9H-fluoren-2-yl)-2-(2-methylpyridin-1-ium-1-yl)ethanone;hydrobromide?
The canonical SMILES for 1-(9H-fluoren-2-yl)-2-(2-methylpyridin-1-ium-1-yl)ethanone;hydrobromide is Br.Cc1cccc[n+]1CC(=O)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 1-(9H-fluoren-2-yl)-2-(2-methylpyridin-1-ium-1-yl)ethanone;hydrobromide?
The InChIKey is IMQPDMILGJECPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18NO.BrH/c1-15-6-4-5-11-22(15)14-21(23)17-9-10-20-18(13-17)12-16-7-2-3-8-19(16)20;/h2-11,13H,12,14H2,1H3;1H/q+1;.
What are the key properties of 1-(9H-fluoren-2-yl)-2-(2-methylpyridin-1-ium-1-yl)ethanone;hydrobromide?
1-(9H-fluoren-2-yl)-2-(2-methylpyridin-1-ium-1-yl)ethanone;hydrobromide has a molecular weight of 381.29 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-2-yl)-2-(2-methylpyridin-1-ium-1-yl)ethanone;hydrobromide is sourced from PubChem (CID 126960798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).