3-amino-2-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde

C8H8F2N2O2 — CID 130106112

IUPAC3-amino-2-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
SMILESCOc1cnc(C(F)F)c(N)c1C=O
InChIInChI=1S/C8H8F2N2O2/c1-14-5-2-12-7(8(9)10)6(11)4(5)3-13/h2-3,8H,11H2,1H3
InChIKeyFMBNSEUWKUIWEX-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.42
Rot. Bonds3

About 3-amino-2-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde

3-amino-2-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde (PubChem CID 130106112) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is 3-amino-2-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-amino-2-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
PubChem CID130106112
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Name3-amino-2-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
SMILESCOc1cnc(C(F)F)c(N)c1C=O
InChIInChI=1S/C8H8F2N2O2/c1-14-5-2-12-7(8(9)10)6(11)4(5)3-13/h2-3,8H,11H2,1H3
InChIKeyFMBNSEUWKUIWEX-UHFFFAOYSA-N
XLogP1.42
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-2-(difluoromethyl)-5-methoxypyridine-4-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

4-amino-2-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde
CID 118829242
2-(difluoromethyl)-4-fluoro-5-methoxypyridin-3-amine
CID 130103884
4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde
CID 118851864
2-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
CID 118847981
2-(difluoromethyl)-3-methoxy-5-methylpyridine-4-carbaldehyde
CID 118854298
5-amino-6-(difluoromethyl)-3-methoxypyridine-2-carbaldehyde
CID 130106113
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134677184
2-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
CID 118815612
2-(difluoromethyl)-4-fluoro-5-methoxypyridine-3-sulfonamide
CID 118826041
2-(difluoromethyl)-3,4-difluoro-5-methoxypyridine
CID 130099673
5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde
CID 130104215
4-amino-6-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
CID 118851291

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde?
The IUPAC name of 3-amino-2-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde (CID 130106112) is 3-amino-2-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde.
What is the SMILES notation for 3-amino-2-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde?
The canonical SMILES for 3-amino-2-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde is COc1cnc(C(F)F)c(N)c1C=O.
What is the InChIKey of 3-amino-2-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde?
The InChIKey is FMBNSEUWKUIWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c1-14-5-2-12-7(8(9)10)6(11)4(5)3-13/h2-3,8H,11H2,1H3.
What are the key properties of 3-amino-2-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde?
3-amino-2-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde has a molecular weight of 202.16 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde is sourced from PubChem (CID 130106112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).