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

C8H8F2N2O — CID 118846706

IUPAC4-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
SMILESNCc1cc(C=O)nc(C(F)F)c1
InChIInChI=1S/C8H8F2N2O/c9-8(10)7-2-5(3-11)1-6(4-13)12-7/h1-2,4,8H,3,11H2
InChIKeyUUXNEMIMGCNJLR-UHFFFAOYSA-N
MW186.16 g/mol
LogP1.29
Rot. Bonds3

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

4-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde (PubChem CID 118846706) has the molecular formula C8H8F2N2O and a molecular weight of 186.16 g/mol. Its IUPAC name is 4-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
PubChem CID118846706
Molecular FormulaC8H8F2N2O
Molecular Weight186.16 g/mol
Exact Mass186.06
IUPAC Name4-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
SMILESNCc1cc(C=O)nc(C(F)F)c1
InChIInChI=1S/C8H8F2N2O/c9-8(10)7-2-5(3-11)1-6(4-13)12-7/h1-2,4,8H,3,11H2
InChIKeyUUXNEMIMGCNJLR-UHFFFAOYSA-N
XLogP1.29
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 118814418
4-(aminomethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 118846700
6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118842634
4-(aminomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075050
4-(aminomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde
CID 118812841
6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 118831095
4-(aminomethyl)-3-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 118829181
5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130086925
6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118819811
6-amino-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 118997022
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118818531
6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118819890

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 4-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde (CID 118846706) is 4-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 4-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 4-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde is NCc1cc(C=O)nc(C(F)F)c1.
What is the InChIKey of 4-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is UUXNEMIMGCNJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O/c9-8(10)7-2-5(3-11)1-6(4-13)12-7/h1-2,4,8H,3,11H2.
What are the key properties of 4-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde?
4-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 186.16 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 118846706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).