6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde

C17H15F5N2O — CID 177333745

IUPAC6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde
SMILESCCCc1nc(-c2cc(N)c(F)c(C)c2C(F)(F)F)c(F)cc1C=O
InChIInChI=1S/C17H15F5N2O/c1-3-4-13-9(7-25)5-11(18)16(24-13)10-6-12(23)15(19)8(2)14(10)17(20,21)22/h5-7H,3-4,23H2,1-2H3
InChIKeyTYBQFRFRNSQMKE-UHFFFAOYSA-N
MW358.31 g/mol
LogP4.70
Rot. Bonds4

About 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde

6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde (PubChem CID 177333745) has the molecular formula C17H15F5N2O and a molecular weight of 358.31 g/mol. Its IUPAC name is 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde
PubChem CID177333745
Molecular FormulaC17H15F5N2O
Molecular Weight358.31 g/mol
Exact Mass358.11
IUPAC Name6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde
SMILESCCCc1nc(-c2cc(N)c(F)c(C)c2C(F)(F)F)c(F)cc1C=O
InChIInChI=1S/C17H15F5N2O/c1-3-4-13-9(7-25)5-11(18)16(24-13)10-6-12(23)15(19)8(2)14(10)17(20,21)22/h5-7H,3-4,23H2,1-2H3
InChIKeyTYBQFRFRNSQMKE-UHFFFAOYSA-N
XLogP4.70
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 2795899
2-[[6-(Trifluoromethyl)-2-pyridinyl]methyl]benzaldehyde
CID 134850494
2,6-Dimethyl-4-(4-fluorophenyl)-pyridine-3-carbaldehyde
CID 9899408
4-(4-Fluorophenyl)-2-(1-methylethyl)-6-phenyl-3-pyridinecarboxaldehyde
CID 14621979
2-(4-Fluorophenyl)-6-methyl-4-propan-2-ylpyridine-3-carbaldehyde
CID 20081861
4-(4-Fluorophenyl)-6-methyl-2-propan-2-ylpyridine-3-carbaldehyde
CID 21471296
4-(4-Fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde
CID 21471324
6-Cyclopropyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde
CID 21471325
4-(4-Fluorophenyl)-2-methyl-6-phenyl-3-pyridinecarboxaldehyde
CID 21471359
6-Tert-butyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde
CID 21471365
4-(4-Fluorophenyl)-2-propan-2-yl-6-(2,3,5,6-tetrafluorophenyl)pyridine-3-carbaldehyde
CID 21471386
4-(4-Fluorophenyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde
CID 21471461

Frequently Asked Questions

What is the IUPAC name of 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde?
The IUPAC name of 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde (CID 177333745) is 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde?
The canonical SMILES for 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde is CCCc1nc(-c2cc(N)c(F)c(C)c2C(F)(F)F)c(F)cc1C=O.
What is the InChIKey of 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde?
The InChIKey is TYBQFRFRNSQMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F5N2O/c1-3-4-13-9(7-25)5-11(18)16(24-13)10-6-12(23)15(19)8(2)14(10)17(20,21)22/h5-7H,3-4,23H2,1-2H3.
What are the key properties of 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde?
6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde has a molecular weight of 358.31 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde is sourced from PubChem (CID 177333745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).