6-amino-5-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde

C13H9F3N2O — CID 87405942

IUPAC6-amino-5-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
SMILESNc1ncc(C=O)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H9F3N2O/c14-13(15,16)10-3-1-9(2-4-10)11-5-8(7-19)6-18-12(11)17/h1-7H,(H2,17,18)
InChIKeyLFQJBPWOLFBKJZ-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.16
Rot. Bonds2

About 6-amino-5-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde

6-amino-5-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde (PubChem CID 87405942) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is 6-amino-5-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-amino-5-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
PubChem CID87405942
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC Name6-amino-5-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
SMILESNc1ncc(C=O)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H9F3N2O/c14-13(15,16)10-3-1-9(2-4-10)11-5-8(7-19)6-18-12(11)17/h1-7H,(H2,17,18)
InChIKeyLFQJBPWOLFBKJZ-UHFFFAOYSA-N
XLogP3.16
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The IUPAC name of 6-amino-5-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde (CID 87405942) is 6-amino-5-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-amino-5-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The canonical SMILES for 6-amino-5-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde is Nc1ncc(C=O)cc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-amino-5-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The InChIKey is LFQJBPWOLFBKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c14-13(15,16)10-3-1-9(2-4-10)11-5-8(7-19)6-18-12(11)17/h1-7H,(H2,17,18).
What are the key properties of 6-amino-5-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
6-amino-5-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde has a molecular weight of 266.22 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 87405942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).