6-amino-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde

C13H9F3N2O2 — CID 87405373

IUPAC6-amino-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
SMILESNc1ccc(-c2cccc(OC(F)(F)F)c2)c(C=O)n1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)20-9-3-1-2-8(6-9)10-4-5-12(17)18-11(10)7-19/h1-7H,(H2,17,18)
InChIKeyOLBGJZNAIKMILJ-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.04
Rot. Bonds3

About 6-amino-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde

6-amino-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde (PubChem CID 87405373) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is 6-amino-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-amino-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
PubChem CID87405373
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC Name6-amino-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
SMILESNc1ccc(-c2cccc(OC(F)(F)F)c2)c(C=O)n1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)20-9-3-1-2-8(6-9)10-4-5-12(17)18-11(10)7-19/h1-7H,(H2,17,18)
InChIKeyOLBGJZNAIKMILJ-UHFFFAOYSA-N
XLogP3.04
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 133089187
3-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
CID 134624116
5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 22326853
4-fluoro-2-[3-(trifluoromethoxy)phenyl]benzaldehyde
CID 103694064
4-[2-[3-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-amine
CID 71463182
2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline
CID 134624108
4-methyl-2,6-bis[3-(trifluoromethoxy)phenyl]aniline
CID 23628482
5-chloro-2-[3-(trifluoromethoxy)phenyl]benzamide
CID 134627963
2-methyl-3-[3-(trifluoromethoxy)phenyl]aniline
CID 107626546
2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine
CID 118828810
2,3-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134617500
4-chloro-6-[3-(trifluoromethoxy)phenyl]pyrimidine-5-carbaldehyde
CID 79079025

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde?
The IUPAC name of 6-amino-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde (CID 87405373) is 6-amino-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-amino-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde?
The canonical SMILES for 6-amino-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde is Nc1ccc(-c2cccc(OC(F)(F)F)c2)c(C=O)n1.
What is the InChIKey of 6-amino-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde?
The InChIKey is OLBGJZNAIKMILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c14-13(15,16)20-9-3-1-2-8(6-9)10-4-5-12(17)18-11(10)7-19/h1-7H,(H2,17,18).
What are the key properties of 6-amino-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde?
6-amino-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde has a molecular weight of 282.22 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 87405373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).