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

C7H6F2N2O2 — CID 130104859

IUPAC6-amino-4-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde
SMILESNc1ncc(C=O)c(C(F)F)c1O
InChIInChI=1S/C7H6F2N2O2/c8-6(9)4-3(2-12)1-11-7(10)5(4)13/h1-2,6,13H,(H2,10,11)
InChIKeyQNYCVTSHOOEVCA-UHFFFAOYSA-N
MW188.13 g/mol
LogP1.12
Rot. Bonds2

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

6-amino-4-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde (PubChem CID 130104859) has the molecular formula C7H6F2N2O2 and a molecular weight of 188.13 g/mol. Its IUPAC name is 6-amino-4-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-amino-4-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde
PubChem CID130104859
Molecular FormulaC7H6F2N2O2
Molecular Weight188.13 g/mol
Exact Mass188.04
IUPAC Name6-amino-4-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde
SMILESNc1ncc(C=O)c(C(F)F)c1O
InChIInChI=1S/C7H6F2N2O2/c8-6(9)4-3(2-12)1-11-7(10)5(4)13/h1-2,6,13H,(H2,10,11)
InChIKeyQNYCVTSHOOEVCA-UHFFFAOYSA-N
XLogP1.12
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-4-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde?
The IUPAC name of 6-amino-4-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde (CID 130104859) is 6-amino-4-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde.
What is the SMILES notation for 6-amino-4-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde?
The canonical SMILES for 6-amino-4-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde is Nc1ncc(C=O)c(C(F)F)c1O.
What is the InChIKey of 6-amino-4-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde?
The InChIKey is QNYCVTSHOOEVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O2/c8-6(9)4-3(2-12)1-11-7(10)5(4)13/h1-2,6,13H,(H2,10,11).
What are the key properties of 6-amino-4-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde?
6-amino-4-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde has a molecular weight of 188.13 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde is sourced from PubChem (CID 130104859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).