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

C8H8F2N2O — CID 118814418

IUPAC6-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
SMILESNCc1cc(C(F)F)cc(C=O)n1
InChIInChI=1S/C8H8F2N2O/c9-8(10)5-1-6(3-11)12-7(2-5)4-13/h1-2,4,8H,3,11H2
InChIKeyPMOZOZCOTFVNCU-UHFFFAOYSA-N
MW186.16 g/mol
LogP1.29
Rot. Bonds3

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

6-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde (PubChem CID 118814418) has the molecular formula C8H8F2N2O and a molecular weight of 186.16 g/mol. Its IUPAC name is 6-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
PubChem CID118814418
Molecular FormulaC8H8F2N2O
Molecular Weight186.16 g/mol
Exact Mass186.06
IUPAC Name6-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
SMILESNCc1cc(C(F)F)cc(C=O)n1
InChIInChI=1S/C8H8F2N2O/c9-8(10)5-1-6(3-11)12-7(2-5)4-13/h1-2,4,8H,3,11H2
InChIKeyPMOZOZCOTFVNCU-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'}

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

6-amino-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 118997022
[4-(difluoromethyl)-6-methyl-2-pyridinyl]methanamine
CID 130097545
[6-bromo-4-(difluoromethyl)-2-pyridinyl]methanamine
CID 118831489
4-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 118846706
6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118842634
4-(aminomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde
CID 118812841
4-(aminomethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 118846700
4-(aminomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075050
6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 118831095
[4-(difluoromethyl)-6-methoxy-2-pyridinyl]methanamine
CID 118820122
5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130086925
6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118819890

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 6-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde (CID 118814418) is 6-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 6-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde is NCc1cc(C(F)F)cc(C=O)n1.
What is the InChIKey of 6-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is PMOZOZCOTFVNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O/c9-8(10)5-1-6(3-11)12-7(2-5)4-13/h1-2,4,8H,3,11H2.
What are the key properties of 6-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde?
6-(aminomethyl)-4-(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 6-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 118814418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).