3,5-diamino-4-(difluoromethyl)pyridine-2-carbaldehyde

C7H7F2N3O — CID 130098772

IUPAC3,5-diamino-4-(difluoromethyl)pyridine-2-carbaldehyde
SMILESNc1cnc(C=O)c(N)c1C(F)F
InChIInChI=1S/C7H7F2N3O/c8-7(9)5-3(10)1-12-4(2-13)6(5)11/h1-2,7H,10-11H2
InChIKeyZDGFFWSTJOCHCL-UHFFFAOYSA-N
MW187.15 g/mol
LogP1.00
Rot. Bonds2

About 3,5-diamino-4-(difluoromethyl)pyridine-2-carbaldehyde

3,5-diamino-4-(difluoromethyl)pyridine-2-carbaldehyde (PubChem CID 130098772) has the molecular formula C7H7F2N3O and a molecular weight of 187.15 g/mol. Its IUPAC name is 3,5-diamino-4-(difluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3,5-diamino-4-(difluoromethyl)pyridine-2-carbaldehyde
PubChem CID130098772
Molecular FormulaC7H7F2N3O
Molecular Weight187.15 g/mol
Exact Mass187.06
IUPAC Name3,5-diamino-4-(difluoromethyl)pyridine-2-carbaldehyde
SMILESNc1cnc(C=O)c(N)c1C(F)F
InChIInChI=1S/C7H7F2N3O/c8-7(9)5-3(10)1-12-4(2-13)6(5)11/h1-2,7H,10-11H2
InChIKeyZDGFFWSTJOCHCL-UHFFFAOYSA-N
XLogP1.00
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-(bromomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107224
5-amino-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile
CID 130103617
3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133104109
3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133086960
4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118829146
4-(difluoromethyl)-3-methyl-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118846177
5-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 130081680
3-(difluoromethyl)-4-fluoro-5-hydroxypyridine-2-carbaldehyde
CID 130079623
3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde
CID 130109704
4-(difluoromethyl)-5-fluoro-3-iodopyridine-2-carbaldehyde
CID 118829503
3-(aminomethyl)-4-(difluoromethyl)-5-iodopyridine-2-carbaldehyde
CID 130086932
3-(difluoromethyl)-5-iodo-4-methylpyridine-2-carbaldehyde
CID 130086216

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-4-(difluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 3,5-diamino-4-(difluoromethyl)pyridine-2-carbaldehyde (CID 130098772) is 3,5-diamino-4-(difluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 3,5-diamino-4-(difluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 3,5-diamino-4-(difluoromethyl)pyridine-2-carbaldehyde is Nc1cnc(C=O)c(N)c1C(F)F.
What is the InChIKey of 3,5-diamino-4-(difluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is ZDGFFWSTJOCHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O/c8-7(9)5-3(10)1-12-4(2-13)6(5)11/h1-2,7H,10-11H2.
What are the key properties of 3,5-diamino-4-(difluoromethyl)pyridine-2-carbaldehyde?
3,5-diamino-4-(difluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 187.15 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-4-(difluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 130098772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).