potassium;[2-(4-bromo-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyridin-5-yl]methanone;hydroxide

C16H12BrFKN2O2- — CID 156666101

IUPACpotassium;[2-(4-bromo-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyridin-5-yl]methanone;hydroxide
SMILESCCc1cc([C-]=O)cc2cc(-c3ccc(Br)cc3F)nn12.[K+].[OH-]
InChIInChI=1S/C16H11BrFN2O.K.H2O/c1-2-12-5-10(9-21)6-13-8-16(19-20(12)13)14-4-3-11(17)7-15(14)18;;/h3-8H,2H2,1H3;;1H2/q-1;+1;/p-1
InChIKeyVVVBSLXSQMTIRC-UHFFFAOYSA-M
MW402.28 g/mol
LogP0.75
Rot. Bonds3

About potassium;[2-(4-bromo-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyridin-5-yl]methanone;hydroxide

potassium;[2-(4-bromo-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyridin-5-yl]methanone;hydroxide (PubChem CID 156666101) has the molecular formula C16H12BrFKN2O2- and a molecular weight of 402.28 g/mol. Its IUPAC name is potassium;[2-(4-bromo-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyridin-5-yl]methanone;hydroxide.

Molecular Properties

Compound Namepotassium;[2-(4-bromo-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyridin-5-yl]methanone;hydroxide
PubChem CID156666101
Molecular FormulaC16H12BrFKN2O2-
Molecular Weight402.28 g/mol
Exact Mass400.97
IUPAC Namepotassium;[2-(4-bromo-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyridin-5-yl]methanone;hydroxide
SMILESCCc1cc([C-]=O)cc2cc(-c3ccc(Br)cc3F)nn12.[K+].[OH-]
InChIInChI=1S/C16H11BrFN2O.K.H2O/c1-2-12-5-10(9-21)6-13-8-16(19-20(12)13)14-4-3-11(17)7-15(14)18;;/h3-8H,2H2,1H3;;1H2/q-1;+1;/p-1
InChIKeyVVVBSLXSQMTIRC-UHFFFAOYSA-M
XLogP0.75
TPSA64.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.28
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-bromophenyl)-3-(3-methyl-1,5-diphenylpyrazol-4-yl)prop-2-en-1-one
CID 76333434
3-Bromo-2-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyridine
CID 21948666
7-Bromo-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carbaldehyde
CID 54501632
[1-(4-Bromophenyl)-3,5-dimethylpyrazol-4-yl]-(4-fluorophenyl)methanone
CID 57926722
3-bromo-N-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide
CID 90157404
N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)-4-fluoro-N-methylbenzamide
CID 90157653
[2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridin-5-yl]-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 147582807
3-(4-Bromo-2-fluorophenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one
CID 147735128
[2-(4-bromo-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyridin-5-yl]-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 148908554
3-bromo-N-ethenyl-N-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide
CID 149568303
2-(4-Bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridine-5-carboxylic acid
CID 149889413
Methyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridine-5-carboxylate
CID 153354375

Frequently Asked Questions

What is the IUPAC name of potassium;[2-(4-bromo-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyridin-5-yl]methanone;hydroxide?
The IUPAC name of potassium;[2-(4-bromo-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyridin-5-yl]methanone;hydroxide (CID 156666101) is potassium;[2-(4-bromo-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyridin-5-yl]methanone;hydroxide.
What is the SMILES notation for potassium;[2-(4-bromo-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyridin-5-yl]methanone;hydroxide?
The canonical SMILES for potassium;[2-(4-bromo-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyridin-5-yl]methanone;hydroxide is CCc1cc([C-]=O)cc2cc(-c3ccc(Br)cc3F)nn12.[K+].[OH-].
What is the InChIKey of potassium;[2-(4-bromo-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyridin-5-yl]methanone;hydroxide?
The InChIKey is VVVBSLXSQMTIRC-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H11BrFN2O.K.H2O/c1-2-12-5-10(9-21)6-13-8-16(19-20(12)13)14-4-3-11(17)7-15(14)18;;/h3-8H,2H2,1H3;;1H2/q-1;+1;/p-1.
What are the key properties of potassium;[2-(4-bromo-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyridin-5-yl]methanone;hydroxide?
potassium;[2-(4-bromo-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyridin-5-yl]methanone;hydroxide has a molecular weight of 402.28 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;[2-(4-bromo-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyridin-5-yl]methanone;hydroxide is sourced from PubChem (CID 156666101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).