6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde

C8H7F3N2O — CID 118831095

IUPAC6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
SMILESNCc1nc(C=O)cc(F)c1C(F)F
InChIInChI=1S/C8H7F3N2O/c9-5-1-4(3-14)13-6(2-12)7(5)8(10)11/h1,3,8H,2,12H2
InChIKeyIIQKACYBGCGIGC-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.43
Rot. Bonds3

About 6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde

6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde (PubChem CID 118831095) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
PubChem CID118831095
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
SMILESNCc1nc(C=O)cc(F)c1C(F)F
InChIInChI=1S/C8H7F3N2O/c9-5-1-4(3-14)13-6(2-12)7(5)8(10)11/h1,3,8H,2,12H2
InChIKeyIIQKACYBGCGIGC-UHFFFAOYSA-N
XLogP1.43
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-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-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118842634
6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118819811
4-(aminomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde
CID 118812841
6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid
CID 118814114
[3-(difluoromethyl)-4-fluoro-6-methoxy-2-pyridinyl]methanamine
CID 118848151
5-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134677513
6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118819890
6-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 118814418
4-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 118846706
4-(aminomethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 118846700
4-(aminomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075050
6-(bromomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 130081881

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde?
The IUPAC name of 6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde (CID 118831095) is 6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde.
What is the SMILES notation for 6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde?
The canonical SMILES for 6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde is NCc1nc(C=O)cc(F)c1C(F)F.
What is the InChIKey of 6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde?
The InChIKey is IIQKACYBGCGIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c9-5-1-4(3-14)13-6(2-12)7(5)8(10)11/h1,3,8H,2,12H2.
What are the key properties of 6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde?
6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde has a molecular weight of 204.15 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde is sourced from PubChem (CID 118831095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).