7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-4-carbaldehyde

C11H7F5N2O2 — CID 59389347

IUPAC7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-4-carbaldehyde
SMILESCOc1ccc(C=O)c2cc(C(F)(F)C(F)(F)F)nn12
InChIInChI=1S/C11H7F5N2O2/c1-20-9-3-2-6(5-19)7-4-8(17-18(7)9)10(12,13)11(14,15)16/h2-5H,1H3
InChIKeyVPBDQDLZSQTFRK-UHFFFAOYSA-N
MW294.18 g/mol
LogP2.81
Rot. Bonds3

About 7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-4-carbaldehyde

7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-4-carbaldehyde (PubChem CID 59389347) has the molecular formula C11H7F5N2O2 and a molecular weight of 294.18 g/mol. Its IUPAC name is 7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-4-carbaldehyde
PubChem CID59389347
Molecular FormulaC11H7F5N2O2
Molecular Weight294.18 g/mol
Exact Mass294.04
IUPAC Name7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-4-carbaldehyde
SMILESCOc1ccc(C=O)c2cc(C(F)(F)C(F)(F)F)nn12
InChIInChI=1S/C11H7F5N2O2/c1-20-9-3-2-6(5-19)7-4-8(17-18(7)9)10(12,13)11(14,15)16/h2-5H,1H3
InChIKeyVPBDQDLZSQTFRK-UHFFFAOYSA-N
XLogP2.81
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carbaldehyde
CID 89187467
7-methoxy-4-[(E)-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 24798187
tert-butyl 2-[[4-formyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]amino]acetate
CID 87495431
1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]propan-1-ol
CID 59389385
1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-3-phenylmethoxypropan-1-one
CID 59389284
[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl] formate
CID 91152344
7-methoxy-4-[(Z)-1-phenyl-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 58014020
7-iodo-2-methylsulfanylpyrazolo[1,5-a]pyridine-4-carbaldehyde
CID 59389419
6-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-methyl-3,4-dihydroisoquinolin-1-one
CID 67303496
2-(1-hydroxyethyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxylic acid
CID 68923050
2-acetyl-7-methoxypyrazolo[1,5-a]pyridine-4-carboxylic acid
CID 68557887
4-methoxy-2,3-dimethylindazole-5-carbaldehyde
CID 117110344

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-4-carbaldehyde?
The IUPAC name of 7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-4-carbaldehyde (CID 59389347) is 7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-4-carbaldehyde.
What is the SMILES notation for 7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-4-carbaldehyde?
The canonical SMILES for 7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-4-carbaldehyde is COc1ccc(C=O)c2cc(C(F)(F)C(F)(F)F)nn12.
What is the InChIKey of 7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-4-carbaldehyde?
The InChIKey is VPBDQDLZSQTFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F5N2O2/c1-20-9-3-2-6(5-19)7-4-8(17-18(7)9)10(12,13)11(14,15)16/h2-5H,1H3.
What are the key properties of 7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-4-carbaldehyde?
7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-4-carbaldehyde has a molecular weight of 294.18 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-4-carbaldehyde is sourced from PubChem (CID 59389347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).