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

C8H4F3N3O2 — CID 133095987

IUPAC5-amino-6-formyl-3-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1nc(C=O)c(N)cc1OC(F)(F)F
InChIInChI=1S/C8H4F3N3O2/c9-8(10,11)16-7-1-4(13)6(3-15)14-5(7)2-12/h1,3H,13H2
InChIKeyDXMJXJOYZOBUPS-UHFFFAOYSA-N
MW231.13 g/mol
LogP1.25
Rot. Bonds2

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

5-amino-6-formyl-3-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 133095987) has the molecular formula C8H4F3N3O2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 5-amino-6-formyl-3-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-6-formyl-3-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID133095987
Molecular FormulaC8H4F3N3O2
Molecular Weight231.13 g/mol
Exact Mass231.03
IUPAC Name5-amino-6-formyl-3-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1nc(C=O)c(N)cc1OC(F)(F)F
InChIInChI=1S/C8H4F3N3O2/c9-8(10,11)16-7-1-4(13)6(3-15)14-5(7)2-12/h1,3H,13H2
InChIKeyDXMJXJOYZOBUPS-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-6-cyano-5-(trifluoromethoxy)pyridine-2-carboxamide
CID 133095988
5-amino-6-(chloromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131312179
3-amino-6-formyl-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095236
5-amino-2-formyl-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095315
4-amino-6-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118806171
5,6-dimethyl-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096333
methyl 2-amino-6-cyano-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 133096940
3-amino-4-formyl-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095262
2-[2-amino-6-cyano-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 133094812
6-bromo-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119012441
6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 133085848
6-amino-3-methoxy-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131467977

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-formyl-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 5-amino-6-formyl-3-(trifluoromethoxy)pyridine-2-carbonitrile (CID 133095987) is 5-amino-6-formyl-3-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 5-amino-6-formyl-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 5-amino-6-formyl-3-(trifluoromethoxy)pyridine-2-carbonitrile is N#Cc1nc(C=O)c(N)cc1OC(F)(F)F.
What is the InChIKey of 5-amino-6-formyl-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is DXMJXJOYZOBUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3O2/c9-8(10,11)16-7-1-4(13)6(3-15)14-5(7)2-12/h1,3H,13H2.
What are the key properties of 5-amino-6-formyl-3-(trifluoromethoxy)pyridine-2-carbonitrile?
5-amino-6-formyl-3-(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 5-amino-6-formyl-3-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 133095987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).