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

C9H7F5N2O2 — CID 118819890

IUPAC6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESNCc1nc(C=O)cc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C9H7F5N2O2/c10-8(11)5-1-4(3-17)16-6(2-15)7(5)18-9(12,13)14/h1,3,8H,2,15H2
InChIKeyVOVFBROOJBTJSN-UHFFFAOYSA-N
MW270.16 g/mol
LogP2.19
Rot. Bonds4

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

6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde (PubChem CID 118819890) has the molecular formula C9H7F5N2O2 and a molecular weight of 270.16 g/mol. Its IUPAC name is 6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
PubChem CID118819890
Molecular FormulaC9H7F5N2O2
Molecular Weight270.16 g/mol
Exact Mass270.04
IUPAC Name6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESNCc1nc(C=O)cc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C9H7F5N2O2/c10-8(11)5-1-4(3-17)16-6(2-15)7(5)18-9(12,13)14/h1,3,8H,2,15H2
InChIKeyVOVFBROOJBTJSN-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-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 119019596
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118818531
6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118819811
5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134663455
2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine
CID 118823621
6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118842634
6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 118831095
6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134661368
6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134669897
2-[2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 118820188
[5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine
CID 134672562
6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118809091

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde (CID 118819890) is 6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde is NCc1nc(C=O)cc(C(F)F)c1OC(F)(F)F.
What is the InChIKey of 6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde?
The InChIKey is VOVFBROOJBTJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5N2O2/c10-8(11)5-1-4(3-17)16-6(2-15)7(5)18-9(12,13)14/h1,3,8H,2,15H2.
What are the key properties of 6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde?
6-(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 6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 118819890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).