6-amino-2-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde

C7H5F3N2O — CID 119014251

IUPAC6-amino-2-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
SMILESNc1nc(C(F)F)c(C=O)cc1F
InChIInChI=1S/C7H5F3N2O/c8-4-1-3(2-13)5(6(9)10)12-7(4)11/h1-2,6H,(H2,11,12)
InChIKeySJCYAEVLGJWAQS-UHFFFAOYSA-N
MW190.12 g/mol
LogP1.55
Rot. Bonds2

About 6-amino-2-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde

6-amino-2-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde (PubChem CID 119014251) has the molecular formula C7H5F3N2O and a molecular weight of 190.12 g/mol. Its IUPAC name is 6-amino-2-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-amino-2-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
PubChem CID119014251
Molecular FormulaC7H5F3N2O
Molecular Weight190.12 g/mol
Exact Mass190.04
IUPAC Name6-amino-2-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
SMILESNc1nc(C(F)F)c(C=O)cc1F
InChIInChI=1S/C7H5F3N2O/c8-4-1-3(2-13)5(6(9)10)12-7(4)11/h1-2,6H,(H2,11,12)
InChIKeySJCYAEVLGJWAQS-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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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde?
The IUPAC name of 6-amino-2-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde (CID 119014251) is 6-amino-2-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde.
What is the SMILES notation for 6-amino-2-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde?
The canonical SMILES for 6-amino-2-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde is Nc1nc(C(F)F)c(C=O)cc1F.
What is the InChIKey of 6-amino-2-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde?
The InChIKey is SJCYAEVLGJWAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O/c8-4-1-3(2-13)5(6(9)10)12-7(4)11/h1-2,6H,(H2,11,12).
What are the key properties of 6-amino-2-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde?
6-amino-2-(difluoromethyl)-5-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 6-amino-2-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde is sourced from PubChem (CID 119014251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).