3-amino-4-formyl-6-(trifluoromethoxy)pyridine-2-carbonitrile

C8H4F3N3O2 — CID 133095262

IUPAC3-amino-4-formyl-6-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1nc(OC(F)(F)F)cc(C=O)c1N
InChIInChI=1S/C8H4F3N3O2/c9-8(10,11)16-6-1-4(3-15)7(13)5(2-12)14-6/h1,3H,13H2
InChIKeyYQVDAQLIDZJZSL-UHFFFAOYSA-N
MW231.13 g/mol
LogP1.25
Rot. Bonds2

About 3-amino-4-formyl-6-(trifluoromethoxy)pyridine-2-carbonitrile

3-amino-4-formyl-6-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 133095262) has the molecular formula C8H4F3N3O2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 3-amino-4-formyl-6-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-formyl-6-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID133095262
Molecular FormulaC8H4F3N3O2
Molecular Weight231.13 g/mol
Exact Mass231.03
IUPAC Name3-amino-4-formyl-6-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1nc(OC(F)(F)F)cc(C=O)c1N
InChIInChI=1S/C8H4F3N3O2/c9-8(10,11)16-6-1-4(3-15)7(13)5(2-12)14-6/h1,3H,13H2
InChIKeyYQVDAQLIDZJZSL-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

3-amino-2-cyano-6-(trifluoromethoxy)pyridine-4-carboxamide
CID 133095263
3-amino-6-formyl-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095236
5-amino-6-formyl-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095987
4-bromo-3-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118805028
2-(difluoromethyl)-3-methyl-6-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 118831628
2-amino-3-nitro-6-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119025074
3-amino-6-(chloromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131393888
5-amino-2-formyl-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095315
4-amino-6-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118806171
2,4-diamino-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095435
5-fluoro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 130092237
4-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 130091935

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-formyl-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-4-formyl-6-(trifluoromethoxy)pyridine-2-carbonitrile (CID 133095262) is 3-amino-4-formyl-6-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-4-formyl-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-4-formyl-6-(trifluoromethoxy)pyridine-2-carbonitrile is N#Cc1nc(OC(F)(F)F)cc(C=O)c1N.
What is the InChIKey of 3-amino-4-formyl-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is YQVDAQLIDZJZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3O2/c9-8(10,11)16-6-1-4(3-15)7(13)5(2-12)14-6/h1,3H,13H2.
What are the key properties of 3-amino-4-formyl-6-(trifluoromethoxy)pyridine-2-carbonitrile?
3-amino-4-formyl-6-(trifluoromethoxy)pyridine-2-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 3-amino-4-formyl-6-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 133095262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).