3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde

C9H7F5N2O2 — CID 134664232

IUPAC3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESNCc1c(C=O)ncc(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C9H7F5N2O2/c10-8(11)7-4(1-15)5(3-17)16-2-6(7)18-9(12,13)14/h2-3,8H,1,15H2
InChIKeyYQGKGZCFDZKQAI-UHFFFAOYSA-N
MW270.16 g/mol
LogP2.19
Rot. Bonds4

About 3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde

3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde (PubChem CID 134664232) has the molecular formula C9H7F5N2O2 and a molecular weight of 270.16 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
PubChem CID134664232
Molecular FormulaC9H7F5N2O2
Molecular Weight270.16 g/mol
Exact Mass270.04
IUPAC Name3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESNCc1c(C=O)ncc(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C9H7F5N2O2/c10-8(11)7-4(1-15)5(3-17)16-2-6(7)18-9(12,13)14/h2-3,8H,1,15H2
InChIKeyYQGKGZCFDZKQAI-UHFFFAOYSA-N
XLogP2.19
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 52.19
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

4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134668401
3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133086960
3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134678961
3-(aminomethyl)-4-(difluoromethyl)-5-iodopyridine-2-carbaldehyde
CID 130086932
[4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134672695
4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118829146
[3-(difluoromethyl)-4-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118853765
[2-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118825588
4-(difluoromethyl)-2-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118823749
3-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134672974
[4-(difluoromethyl)-2-fluoro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118846428
3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134672573

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde (CID 134664232) is 3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde is NCc1c(C=O)ncc(OC(F)(F)F)c1C(F)F.
What is the InChIKey of 3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde?
The InChIKey is YQGKGZCFDZKQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5N2O2/c10-8(11)7-4(1-15)5(3-17)16-2-6(7)18-9(12,13)14/h2-3,8H,1,15H2.
What are the key properties of 3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde?
3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde has a molecular weight of 270.16 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 134664232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).