1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indazole-5-carbaldehyde

C15H10F3N3O — CID 86654628

IUPAC1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indazole-5-carbaldehyde
SMILESO=Cc1ccc2c(cnn2Cc2ncccc2C(F)(F)F)c1
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)12-2-1-5-19-13(12)8-21-14-4-3-10(9-22)6-11(14)7-20-21/h1-7,9H,8H2
InChIKeyFJRGRTZSTFFODZ-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.31
Rot. Bonds3

About 1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indazole-5-carbaldehyde

1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indazole-5-carbaldehyde (PubChem CID 86654628) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indazole-5-carbaldehyde.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indazole-5-carbaldehyde
PubChem CID86654628
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC Name1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indazole-5-carbaldehyde
SMILESO=Cc1ccc2c(cnn2Cc2ncccc2C(F)(F)F)c1
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)12-2-1-5-19-13(12)8-21-14-4-3-10(9-22)6-11(14)7-20-21/h1-7,9H,8H2
InChIKeyFJRGRTZSTFFODZ-UHFFFAOYSA-N
XLogP3.31
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.31
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

1-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carbaldehyde
CID 140648853
1-(pyridin-2-ylmethyl)indazole-5-carbaldehyde
CID 123739910
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]indazole-5-carbaldehyde
CID 86654587
1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-5-carbaldehyde
CID 86654538
2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one
CID 177327559
8-(trifluoromethyl)quinoline-6-carbaldehyde
CID 87213949
2-[(3,5-dimethoxypyrazol-1-yl)methyl]-3-(trifluoromethyl)pyridine
CID 167929200
5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 86659667
2-benzyl-3-(trifluoromethyl)pyridine
CID 58230279
N-[1-(4-formylphenyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
CID 155751999
4-cyclohexyl-5-phenyl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one
CID 177327676
(E)-3-(1-benzylindazol-5-yl)-N-hydroxyprop-2-enamide
CID 170647943

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indazole-5-carbaldehyde?
The IUPAC name of 1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indazole-5-carbaldehyde (CID 86654628) is 1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indazole-5-carbaldehyde.
What is the SMILES notation for 1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indazole-5-carbaldehyde?
The canonical SMILES for 1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indazole-5-carbaldehyde is O=Cc1ccc2c(cnn2Cc2ncccc2C(F)(F)F)c1.
What is the InChIKey of 1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indazole-5-carbaldehyde?
The InChIKey is FJRGRTZSTFFODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O/c16-15(17,18)12-2-1-5-19-13(12)8-21-14-4-3-10(9-22)6-11(14)7-20-21/h1-7,9H,8H2.
What are the key properties of 1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indazole-5-carbaldehyde?
1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indazole-5-carbaldehyde has a molecular weight of 305.26 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indazole-5-carbaldehyde is sourced from PubChem (CID 86654628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).