6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde

C9H10F2N2O — CID 118820061

IUPAC6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)c(C(F)F)nc1CN
InChIInChI=1S/C9H10F2N2O/c1-5-2-6(4-14)8(9(10)11)13-7(5)3-12/h2,4,9H,3,12H2,1H3
InChIKeyHCEPWGGLBHMLDF-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.60
Rot. Bonds3

About 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde

6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde (PubChem CID 118820061) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
PubChem CID118820061
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)c(C(F)F)nc1CN
InChIInChI=1S/C9H10F2N2O/c1-5-2-6(4-14)8(9(10)11)13-7(5)3-12/h2,4,9H,3,12H2,1H3
InChIKeyHCEPWGGLBHMLDF-UHFFFAOYSA-N
XLogP1.60
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-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-(chloromethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 118821330
5-amino-2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 130107058
6-chloro-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 130074332
2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde
CID 118825784
methyl 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carboxylate
CID 133098701
[3-bromo-6-(difluoromethyl)-5-methyl-2-pyridinyl]methanamine
CID 118820028
6-amino-2-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
CID 119014251
4-(aminomethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 118846700
6-amino-3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carbaldehyde
CID 130107032
6-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118820202
2-(aminomethyl)-4-fluoro-5-methylbenzaldehyde
CID 117276479
4-(aminomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075050

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde (CID 118820061) is 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde is Cc1cc(C=O)c(C(F)F)nc1CN.
What is the InChIKey of 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde?
The InChIKey is HCEPWGGLBHMLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O/c1-5-2-6(4-14)8(9(10)11)13-7(5)3-12/h2,4,9H,3,12H2,1H3.
What are the key properties of 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde?
6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde has a molecular weight of 200.19 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 118820061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).