6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbaldehyde

C8H8F2N2O — CID 119010249

IUPAC6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbaldehyde
SMILESCc1cc(C=O)nc(N)c1C(F)F
InChIInChI=1S/C8H8F2N2O/c1-4-2-5(3-13)12-8(11)6(4)7(9)10/h2-3,7H,1H3,(H2,11,12)
InChIKeySOBCUEADHCTENN-UHFFFAOYSA-N
MW186.16 g/mol
LogP1.72
Rot. Bonds2

About 6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbaldehyde

6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbaldehyde (PubChem CID 119010249) has the molecular formula C8H8F2N2O and a molecular weight of 186.16 g/mol. Its IUPAC name is 6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbaldehyde
PubChem CID119010249
Molecular FormulaC8H8F2N2O
Molecular Weight186.16 g/mol
Exact Mass186.06
IUPAC Name6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbaldehyde
SMILESCc1cc(C=O)nc(N)c1C(F)F
InChIInChI=1S/C8H8F2N2O/c1-4-2-5(3-13)12-8(11)6(4)7(9)10/h2-3,7H,1H3,(H2,11,12)
InChIKeySOBCUEADHCTENN-UHFFFAOYSA-N
XLogP1.72
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-amino-5-(difluoromethyl)-4-methylpyridine-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-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 119008459
3-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridin-2-amine
CID 118996985
6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130106642
4-bromo-5-(difluoromethyl)-6-methylpyridine-2-carbaldehyde
CID 118799535
6-amino-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 118997022
2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbaldehyde
CID 119005034
6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118819811
4-(aminomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde
CID 118812841
4-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118800737
6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118842634
4-(aminomethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 118846700
6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 118831095

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbaldehyde?
The IUPAC name of 6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbaldehyde (CID 119010249) is 6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbaldehyde?
The canonical SMILES for 6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbaldehyde is Cc1cc(C=O)nc(N)c1C(F)F.
What is the InChIKey of 6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbaldehyde?
The InChIKey is SOBCUEADHCTENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O/c1-4-2-5(3-13)12-8(11)6(4)7(9)10/h2-3,7H,1H3,(H2,11,12).
What are the key properties of 6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbaldehyde?
6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbaldehyde has a molecular weight of 186.16 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 119010249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).