6-amino-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde

C7H5F3N2O — CID 130104210

IUPAC6-amino-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
SMILESNc1cc(F)c(C(F)F)c(C=O)n1
InChIInChI=1S/C7H5F3N2O/c8-3-1-5(11)12-4(2-13)6(3)7(9)10/h1-2,7H,(H2,11,12)
InChIKeyGXBNYTBLXSFQOO-UHFFFAOYSA-N
MW190.12 g/mol
LogP1.55
Rot. Bonds2

About 6-amino-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde

6-amino-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde (PubChem CID 130104210) has the molecular formula C7H5F3N2O and a molecular weight of 190.12 g/mol. Its IUPAC name is 6-amino-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-amino-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
PubChem CID130104210
Molecular FormulaC7H5F3N2O
Molecular Weight190.12 g/mol
Exact Mass190.04
IUPAC Name6-amino-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
SMILESNc1cc(F)c(C(F)F)c(C=O)n1
InChIInChI=1S/C7H5F3N2O/c8-3-1-5(11)12-4(2-13)6(3)7(9)10/h1-2,7H,(H2,11,12)
InChIKeyGXBNYTBLXSFQOO-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

3-(difluoromethyl)-4-fluoro-6-methylpyridine-2-carbaldehyde
CID 130081152
6-(bromomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 130081881
6-chloro-3-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130073307
6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 118831095
4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 130073333
6-(difluoromethyl)-3,5-difluoropyridine-2-carbaldehyde
CID 130099862
5-(difluoromethyl)-6-formyl-4-iodopyridine-2-carbonitrile
CID 130077547
6-amino-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 118997022
6-amino-2-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
CID 119014251
5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130102093
3,5-diamino-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130098772
6-(difluoromethyl)-3-fluoro-5-methylpyridine-2-carbaldehyde
CID 130081136

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde?
The IUPAC name of 6-amino-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde (CID 130104210) is 6-amino-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde.
What is the SMILES notation for 6-amino-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde?
The canonical SMILES for 6-amino-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde is Nc1cc(F)c(C(F)F)c(C=O)n1.
What is the InChIKey of 6-amino-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde?
The InChIKey is GXBNYTBLXSFQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O/c8-3-1-5(11)12-4(2-13)6(3)7(9)10/h1-2,7H,(H2,11,12).
What are the key properties of 6-amino-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde?
6-amino-3-(difluoromethyl)-4-fluoropyridine-2-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 6-amino-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde is sourced from PubChem (CID 130104210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).