2-chloro-2-fluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone

C8H9ClFN3O — CID 166427815

IUPAC2-chloro-2-fluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone
SMILESO=C(C(F)Cl)N1CCCc2[nH]ncc21
InChIInChI=1S/C8H9ClFN3O/c9-7(10)8(14)13-3-1-2-5-6(13)4-11-12-5/h4,7H,1-3H2,(H,11,12)
InChIKeyWXTTVFSWWGHZCV-UHFFFAOYSA-N
MW217.63 g/mol
LogP1.22
Rot. Bonds1

About 2-chloro-2-fluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone

2-chloro-2-fluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone (PubChem CID 166427815) has the molecular formula C8H9ClFN3O and a molecular weight of 217.63 g/mol. Its IUPAC name is 2-chloro-2-fluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone.

Molecular Properties

Compound Name2-chloro-2-fluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone
PubChem CID166427815
Molecular FormulaC8H9ClFN3O
Molecular Weight217.63 g/mol
Exact Mass217.04
IUPAC Name2-chloro-2-fluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone
SMILESO=C(C(F)Cl)N1CCCc2[nH]ncc21
InChIInChI=1S/C8H9ClFN3O/c9-7(10)8(14)13-3-1-2-5-6(13)4-11-12-5/h4,7H,1-3H2,(H,11,12)
InChIKeyWXTTVFSWWGHZCV-UHFFFAOYSA-N
XLogP1.22
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-2-fluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R)-2,2-difluorocyclopropyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
CID 164632703
1-[1-(1-fluoroethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-(2-methylhydrazinyl)ethanone
CID 147392310
Trifluoromethyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate
CID 155644253
Pyrazolopiperidinone hydrochloride
CID 129765333
3,3-Difluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)butan-1-one
CID 126773974
(2,2-Difluorocyclopropyl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
CID 126790747
(2-Fluoro-1-methylcyclopropyl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
CID 126791079
1,5,6,7-Tetrahydropyrazolo[4,5-b]pyridin-4-yl-[1-(trifluoromethyl)cyclobutyl]methanone
CID 132299654
4-(3-Fluoropropyl)-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
CID 145896009
4-(2-Fluoroethyl)-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
CID 145897986
2-[Methyl(2,2,2-trifluoroethyl)amino]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one
CID 146085803
1,5,6,7-Tetrahydropyrazolo[4,5-b]pyridin-4-yl-[1-(trifluoromethyl)cyclopropyl]methanone
CID 154755136

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-fluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone?
The IUPAC name of 2-chloro-2-fluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone (CID 166427815) is 2-chloro-2-fluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone.
What is the SMILES notation for 2-chloro-2-fluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone?
The canonical SMILES for 2-chloro-2-fluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone is O=C(C(F)Cl)N1CCCc2[nH]ncc21.
What is the InChIKey of 2-chloro-2-fluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone?
The InChIKey is WXTTVFSWWGHZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN3O/c9-7(10)8(14)13-3-1-2-5-6(13)4-11-12-5/h4,7H,1-3H2,(H,11,12).
What are the key properties of 2-chloro-2-fluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone?
2-chloro-2-fluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone has a molecular weight of 217.63 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone is sourced from PubChem (CID 166427815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).