2-fluoro-6-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde

C19H15F4N3O2 — CID 71621778

IUPAC2-fluoro-6-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde
SMILESO=Cc1c(F)cccc1OCc1cccnc1-c1ccnn1CCC(F)(F)F
InChIInChI=1S/C19H15F4N3O2/c20-15-4-1-5-17(14(15)11-27)28-12-13-3-2-8-24-18(13)16-6-9-25-26(16)10-7-19(21,22)23/h1-6,8-9,11H,7,10,12H2
InChIKeyLLNUXVXQOAESCE-UHFFFAOYSA-N
MW393.34 g/mol
LogP4.43
Rot. Bonds7

About 2-fluoro-6-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde

2-fluoro-6-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde (PubChem CID 71621778) has the molecular formula C19H15F4N3O2 and a molecular weight of 393.34 g/mol. Its IUPAC name is 2-fluoro-6-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-fluoro-6-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde
PubChem CID71621778
Molecular FormulaC19H15F4N3O2
Molecular Weight393.34 g/mol
Exact Mass393.11
IUPAC Name2-fluoro-6-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde
SMILESO=Cc1c(F)cccc1OCc1cccnc1-c1ccnn1CCC(F)(F)F
InChIInChI=1S/C19H15F4N3O2/c20-15-4-1-5-17(14(15)11-27)28-12-13-3-2-8-24-18(13)16-6-9-25-26(16)10-7-19(21,22)23/h1-6,8-9,11H,7,10,12H2
InChIKeyLLNUXVXQOAESCE-UHFFFAOYSA-N
XLogP4.43
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-fluoro-6-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde 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

Voxelotor
CID 71602803
4-(4-Fluorophenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide
CID 122539788
5-((2-(1-isopropyl-1H-pyrazol-5-yl)pyridin-3-yl)methoxy)-2-methoxyisonicotinaldehyde
CID 85472986
4-[5-(1,5-Dimethylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide
CID 155514353
2-[(2,6-Difluorophenyl)methoxy]-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine
CID 71105372
6-(4-(2-(1-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy)phenyl) picolinamide
CID 117616822
4-(4-fluorophenyl)-5-((1-methyl-1H-pyrazol-4-yl)methoxy)picolinamide
CID 122539778
2-Fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 71621777
5-[[2-(1,4-Dimethylpyrazol-5-yl)-3-pyridinyl]methoxy]-2-methoxypyridine-4-carbaldehyde
CID 71622314
2-(Difluoromethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)pyridin-3-yl]methoxy]pyridine-4-carbaldehyde
CID 85473234
3-[[2-(2-Propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde
CID 85473236
6-Methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde
CID 85473237

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde?
The IUPAC name of 2-fluoro-6-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde (CID 71621778) is 2-fluoro-6-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde.
What is the SMILES notation for 2-fluoro-6-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde?
The canonical SMILES for 2-fluoro-6-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde is O=Cc1c(F)cccc1OCc1cccnc1-c1ccnn1CCC(F)(F)F.
What is the InChIKey of 2-fluoro-6-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde?
The InChIKey is LLNUXVXQOAESCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3O2/c20-15-4-1-5-17(14(15)11-27)28-12-13-3-2-8-24-18(13)16-6-9-25-26(16)10-7-19(21,22)23/h1-6,8-9,11H,7,10,12H2.
What are the key properties of 2-fluoro-6-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde?
2-fluoro-6-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde has a molecular weight of 393.34 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde is sourced from PubChem (CID 71621778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).