5-amino-2-formyl-6-(trifluoromethoxy)pyridine-3-carbonitrile

C8H4F3N3O2 — CID 133095315

IUPAC5-amino-2-formyl-6-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)c(OC(F)(F)F)nc1C=O
InChIInChI=1S/C8H4F3N3O2/c9-8(10,11)16-7-5(13)1-4(2-12)6(3-15)14-7/h1,3H,13H2
InChIKeyGCNGTMYSWLHWFI-UHFFFAOYSA-N
MW231.13 g/mol
LogP1.25
Rot. Bonds2

About 5-amino-2-formyl-6-(trifluoromethoxy)pyridine-3-carbonitrile

5-amino-2-formyl-6-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 133095315) has the molecular formula C8H4F3N3O2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 5-amino-2-formyl-6-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-formyl-6-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID133095315
Molecular FormulaC8H4F3N3O2
Molecular Weight231.13 g/mol
Exact Mass231.03
IUPAC Name5-amino-2-formyl-6-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)c(OC(F)(F)F)nc1C=O
InChIInChI=1S/C8H4F3N3O2/c9-8(10,11)16-7-5(13)1-4(2-12)6(3-15)14-7/h1,3H,13H2
InChIKeyGCNGTMYSWLHWFI-UHFFFAOYSA-N
XLogP1.25
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279561
5-amino-6-formyl-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095987
4-amino-6-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118806171
5-amino-6-(cyanomethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095331
4-amino-6-iodo-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118811818
6-amino-5-(difluoromethyl)-2-formylpyridine-3-carbonitrile
CID 119001249
6-amino-5-hydroxy-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118997448
3-amino-4-formyl-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095262
methyl 5-amino-4-cyano-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 133097018
3-amino-6-formyl-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095236
4-amino-6-bromo-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279572
3-iodo-5-nitro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134679774

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-formyl-6-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-formyl-6-(trifluoromethoxy)pyridine-3-carbonitrile (CID 133095315) is 5-amino-2-formyl-6-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-formyl-6-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-formyl-6-(trifluoromethoxy)pyridine-3-carbonitrile is N#Cc1cc(N)c(OC(F)(F)F)nc1C=O.
What is the InChIKey of 5-amino-2-formyl-6-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is GCNGTMYSWLHWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3O2/c9-8(10,11)16-7-5(13)1-4(2-12)6(3-15)14-7/h1,3H,13H2.
What are the key properties of 5-amino-2-formyl-6-(trifluoromethoxy)pyridine-3-carbonitrile?
5-amino-2-formyl-6-(trifluoromethoxy)pyridine-3-carbonitrile has a molecular weight of 231.13 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-formyl-6-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 133095315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).