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

C8H4F3N3O2 — CID 118806171

IUPAC4-amino-6-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(N)c(OC(F)(F)F)c(C=O)n1
InChIInChI=1S/C8H4F3N3O2/c9-8(10,11)16-7-5(13)1-4(2-12)14-6(7)3-15/h1,3H,(H2,13,14)
InChIKeyBOSUNRMJEWFIAD-UHFFFAOYSA-N
MW231.13 g/mol
LogP1.25
Rot. Bonds2

About 4-amino-6-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile

4-amino-6-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 118806171) has the molecular formula C8H4F3N3O2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 4-amino-6-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-amino-6-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID118806171
Molecular FormulaC8H4F3N3O2
Molecular Weight231.13 g/mol
Exact Mass231.03
IUPAC Name4-amino-6-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(N)c(OC(F)(F)F)c(C=O)n1
InChIInChI=1S/C8H4F3N3O2/c9-8(10,11)16-7-5(13)1-4(2-12)14-6(7)3-15/h1,3H,(H2,13,14)
InChIKeyBOSUNRMJEWFIAD-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

4-amino-6-iodo-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118811818
5-amino-2-formyl-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095315
5-amino-6-formyl-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095987
4-amino-5-(cyanomethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118833213
3-amino-6-formyl-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095236
3-amino-4-formyl-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095262
6-bromo-4-fluoro-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118997727
6-(aminomethyl)-4-bromo-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118814478
5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131279576
4-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130113003
4-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 130091935
5-amino-4-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131434041

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 4-amino-6-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile (CID 118806171) is 4-amino-6-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 4-amino-6-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 4-amino-6-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile is N#Cc1cc(N)c(OC(F)(F)F)c(C=O)n1.
What is the InChIKey of 4-amino-6-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is BOSUNRMJEWFIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3O2/c9-8(10,11)16-7-5(13)1-4(2-12)14-6(7)3-15/h1,3H,(H2,13,14).
What are the key properties of 4-amino-6-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile?
4-amino-6-formyl-5-(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 4-amino-6-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 118806171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).