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

C8H3F3N2O2 — CID 130091935

IUPAC4-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(C=O)c(OC(F)(F)F)cn1
InChIInChI=1S/C8H3F3N2O2/c9-8(10,11)15-7-3-13-6(2-12)1-5(7)4-14/h1,3-4H
InChIKeyJALXSWQSKVCVEH-UHFFFAOYSA-N
MW216.12 g/mol
LogP1.66
Rot. Bonds2

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

4-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 130091935) has the molecular formula C8H3F3N2O2 and a molecular weight of 216.12 g/mol. Its IUPAC name is 4-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID130091935
Molecular FormulaC8H3F3N2O2
Molecular Weight216.12 g/mol
Exact Mass216.01
IUPAC Name4-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(C=O)c(OC(F)(F)F)cn1
InChIInChI=1S/C8H3F3N2O2/c9-8(10,11)15-7-3-13-6(2-12)1-5(7)4-14/h1,3-4H
InChIKeyJALXSWQSKVCVEH-UHFFFAOYSA-N
XLogP1.66
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.12
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 119019372
2-bromo-5-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 119015810
4-(bromomethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 130091879
5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133094874
6-chloro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 119024459
2-iodo-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 90656956
3-amino-4-formyl-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095262
5-amino-6-formyl-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095987
4-amino-6-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118806171
3-amino-6-formyl-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095236
2-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 133095709
2-chloro-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 119020600

Frequently Asked Questions

What is the IUPAC name of 4-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 4-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile (CID 130091935) is 4-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 4-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 4-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile is N#Cc1cc(C=O)c(OC(F)(F)F)cn1.
What is the InChIKey of 4-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is JALXSWQSKVCVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F3N2O2/c9-8(10,11)15-7-3-13-6(2-12)1-5(7)4-14/h1,3-4H.
What are the key properties of 4-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile?
4-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile has a molecular weight of 216.12 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 130091935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).