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

C13H9F3N2O — CID 154489385

IUPAC6-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
SMILESNc1ccc(C=O)c(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H9F3N2O/c14-13(15,16)10-3-1-2-8(6-10)12-9(7-19)4-5-11(17)18-12/h1-7H,(H2,17,18)
InChIKeyCQQMQGSGGYYIRP-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.16
Rot. Bonds2

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

6-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde (PubChem CID 154489385) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is 6-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
PubChem CID154489385
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC Name6-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
SMILESNc1ccc(C=O)c(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H9F3N2O/c14-13(15,16)10-3-1-2-8(6-10)12-9(7-19)4-5-11(17)18-12/h1-7H,(H2,17,18)
InChIKeyCQQMQGSGGYYIRP-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'}

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

3-Acyl-2,6-diaminopyridine deriv. 2m
CID 5330827
3-Methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 966005
3-Acyl-2,6-diaminopyridine deriv. 3a
CID 5330840
3-Acyl-2,6-diaminopyridine deriv. 3b
CID 5330841
(2,6-Diaminopyridin-3-yl)(phenyl)methanone
CID 5330842
2-Butylamino-6-phenyl-4-trifluoromethyl-nicotinamide
CID 1904911
7-Methyl-2-m-tolyl-1H-[1,8]naphthyridin-4-one
CID 5468782
2-(3-fluorophenyl)-7-methyl-1,8-naphthyridin-4(1H)-one
CID 5468784
2-(4-Fluorophenyl)-7-methyl-1,8-naphthyridin-4-ol
CID 5468910
3-Acyl-2,6-diaminopyridine deriv. 2a
CID 5330815
2-(2-Fluoro-phenyl)-7-methyl-[1,8]naphthyridin-4-ol
CID 10538858
2-(5-Hydroxy-7-phenyl-[1,8]naphthyridin-2-yl)-acetamide
CID 44333467

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The IUPAC name of 6-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde (CID 154489385) is 6-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The canonical SMILES for 6-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde is Nc1ccc(C=O)c(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 6-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The InChIKey is CQQMQGSGGYYIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c14-13(15,16)10-3-1-2-8(6-10)12-9(7-19)4-5-11(17)18-12/h1-7H,(H2,17,18).
What are the key properties of 6-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
6-amino-2-[3-(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-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 154489385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).