4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde

C9H7F5N2O2 — CID 118818531

IUPAC4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESNCc1cc(C=O)nc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C9H7F5N2O2/c10-8(11)6-7(18-9(12,13)14)4(2-15)1-5(3-17)16-6/h1,3,8H,2,15H2
InChIKeyHTFPBUZDKOKMEZ-UHFFFAOYSA-N
MW270.16 g/mol
LogP2.19
Rot. Bonds4

About 4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde

4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde (PubChem CID 118818531) has the molecular formula C9H7F5N2O2 and a molecular weight of 270.16 g/mol. Its IUPAC name is 4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
PubChem CID118818531
Molecular FormulaC9H7F5N2O2
Molecular Weight270.16 g/mol
Exact Mass270.04
IUPAC Name4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESNCc1cc(C=O)nc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C9H7F5N2O2/c10-8(11)6-7(18-9(12,13)14)4(2-15)1-5(3-17)16-6/h1,3,8H,2,15H2
InChIKeyHTFPBUZDKOKMEZ-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

6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118809091
6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118819890
4-(aminomethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 118846700
4-(aminomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075050
ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668307
3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134672573
5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130086925
[2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 134678172
4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-amine
CID 119011988
2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 118809461
4-(aminomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde
CID 118812841
6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 119019596

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde (CID 118818531) is 4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde is NCc1cc(C=O)nc(C(F)F)c1OC(F)(F)F.
What is the InChIKey of 4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde?
The InChIKey is HTFPBUZDKOKMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5N2O2/c10-8(11)6-7(18-9(12,13)14)4(2-15)1-5(3-17)16-6/h1,3,8H,2,15H2.
What are the key properties of 4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde?
4-(aminomethyl)-6-(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 4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 118818531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).