2-fluoro-2-(5-pyrazol-1-yl-2-pyridinyl)propanal

C11H10FN3O — CID 174577241

IUPAC2-fluoro-2-(5-pyrazol-1-yl-2-pyridinyl)propanal
SMILESCC(F)(C=O)c1ccc(-n2cccn2)cn1
InChIInChI=1S/C11H10FN3O/c1-11(12,8-16)10-4-3-9(7-13-10)15-6-2-5-14-15/h2-8H,1H3
InChIKeyGUZOGDSKFKEACG-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.65
Rot. Bonds3

About 2-fluoro-2-(5-pyrazol-1-yl-2-pyridinyl)propanal

2-fluoro-2-(5-pyrazol-1-yl-2-pyridinyl)propanal (PubChem CID 174577241) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-fluoro-2-(5-pyrazol-1-yl-2-pyridinyl)propanal.

Molecular Properties

Compound Name2-fluoro-2-(5-pyrazol-1-yl-2-pyridinyl)propanal
PubChem CID174577241
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name2-fluoro-2-(5-pyrazol-1-yl-2-pyridinyl)propanal
SMILESCC(F)(C=O)c1ccc(-n2cccn2)cn1
InChIInChI=1S/C11H10FN3O/c1-11(12,8-16)10-4-3-9(7-13-10)15-6-2-5-14-15/h2-8H,1H3
InChIKeyGUZOGDSKFKEACG-UHFFFAOYSA-N
XLogP1.65
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-pyrazol-1-ylpyridine
CID 141212781
1-(5-pyrazol-1-yl-2-pyridinyl)ethanol
CID 83132104
5-pyrazol-1-ylpyridine-2-carbonitrile
CID 115487796
2,2,3,3-tetramethyl-N-(5-pyrazol-1-yl-2-pyridinyl)cyclopropane-1-carboxamide
CID 156737994
2-pyrazol-1-yl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]pyrimidine-5-carboxamide
CID 143866396
5-pyrrol-1-yl-2-(trifluoromethyl)pyridine
CID 82816701
1-(4-tert-butylphenyl)sulfonylpyrazole
CID 843460
tert-butyl N-(4-pyrazol-1-ylphenyl)sulfonylcarbamate
CID 58292272
5-(3-chloropyrazol-1-yl)-2-(trifluoromethyl)pyridine;ethane
CID 177229959
4-pyrazol-1-ylbenzoate
CID 5158283
N-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
CID 122301720
tris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+)
CID 146012615

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(5-pyrazol-1-yl-2-pyridinyl)propanal?
The IUPAC name of 2-fluoro-2-(5-pyrazol-1-yl-2-pyridinyl)propanal (CID 174577241) is 2-fluoro-2-(5-pyrazol-1-yl-2-pyridinyl)propanal.
What is the SMILES notation for 2-fluoro-2-(5-pyrazol-1-yl-2-pyridinyl)propanal?
The canonical SMILES for 2-fluoro-2-(5-pyrazol-1-yl-2-pyridinyl)propanal is CC(F)(C=O)c1ccc(-n2cccn2)cn1.
What is the InChIKey of 2-fluoro-2-(5-pyrazol-1-yl-2-pyridinyl)propanal?
The InChIKey is GUZOGDSKFKEACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-11(12,8-16)10-4-3-9(7-13-10)15-6-2-5-14-15/h2-8H,1H3.
What are the key properties of 2-fluoro-2-(5-pyrazol-1-yl-2-pyridinyl)propanal?
2-fluoro-2-(5-pyrazol-1-yl-2-pyridinyl)propanal has a molecular weight of 219.22 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(5-pyrazol-1-yl-2-pyridinyl)propanal is sourced from PubChem (CID 174577241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).