5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde

C7H5F3N2O — CID 130104215

IUPAC5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde
SMILESNc1c(C(F)F)ncc(C=O)c1F
InChIInChI=1S/C7H5F3N2O/c8-4-3(2-13)1-12-6(5(4)11)7(9)10/h1-2,7H,11H2
InChIKeyGAKBLWYTLHDPQZ-UHFFFAOYSA-N
MW190.12 g/mol
LogP1.55
Rot. Bonds2

About 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde

5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde (PubChem CID 130104215) has the molecular formula C7H5F3N2O and a molecular weight of 190.12 g/mol. Its IUPAC name is 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde
PubChem CID130104215
Molecular FormulaC7H5F3N2O
Molecular Weight190.12 g/mol
Exact Mass190.04
IUPAC Name5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde
SMILESNc1c(C(F)F)ncc(C=O)c1F
InChIInChI=1S/C7H5F3N2O/c8-4-3(2-13)1-12-6(5(4)11)7(9)10/h1-2,7H,11H2
InChIKeyGAKBLWYTLHDPQZ-UHFFFAOYSA-N
XLogP1.55
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.12
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-6-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
CID 118851291
6-(difluoromethyl)-4,5-difluoropyridine-3-carbaldehyde
CID 130099857
4-amino-6-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde
CID 118845258
4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde
CID 118851864
2-(difluoromethyl)-4-fluoro-5-iodopyridin-3-amine
CID 130103853
methyl 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 130104300
2-(difluoromethyl)-4-fluoro-5-methoxypyridin-3-amine
CID 130103884
2-(difluoromethyl)-3,5-difluoropyridin-4-amine
CID 118812171
3-amino-2-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
CID 130106112
4-bromo-5-chloro-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 118811578
4-chloro-6-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 118822221
2-(difluoromethyl)-5-iodopyridine-3-carbaldehyde
CID 118820492

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde?
The IUPAC name of 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde (CID 130104215) is 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde.
What is the SMILES notation for 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde?
The canonical SMILES for 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde is Nc1c(C(F)F)ncc(C=O)c1F.
What is the InChIKey of 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde?
The InChIKey is GAKBLWYTLHDPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O/c8-4-3(2-13)1-12-6(5(4)11)7(9)10/h1-2,7H,11H2.
What are the key properties of 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde?
5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde has a molecular weight of 190.12 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde is sourced from PubChem (CID 130104215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).