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

C8H6F3N3O2 — CID 131467977

IUPAC6-amino-3-methoxy-4-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESCOc1c(OC(F)(F)F)cc(N)nc1C#N
InChIInChI=1S/C8H6F3N3O2/c1-15-7-4(3-12)14-6(13)2-5(7)16-8(9,10)11/h2H,1H3,(H2,13,14)
InChIKeyGJHPFWYSPCFJTB-UHFFFAOYSA-N
MW233.15 g/mol
LogP1.44
Rot. Bonds2

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

6-amino-3-methoxy-4-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 131467977) has the molecular formula C8H6F3N3O2 and a molecular weight of 233.15 g/mol. Its IUPAC name is 6-amino-3-methoxy-4-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-amino-3-methoxy-4-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID131467977
Molecular FormulaC8H6F3N3O2
Molecular Weight233.15 g/mol
Exact Mass233.04
IUPAC Name6-amino-3-methoxy-4-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESCOc1c(OC(F)(F)F)cc(N)nc1C#N
InChIInChI=1S/C8H6F3N3O2/c1-15-7-4(3-12)14-6(13)2-5(7)16-8(9,10)11/h2H,1H3,(H2,13,14)
InChIKeyGJHPFWYSPCFJTB-UHFFFAOYSA-N
XLogP1.44
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-4-methoxy-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131504220
6-amino-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131630346
6-amino-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131392806
2-amino-6-methoxy-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131624032
methyl 2-amino-6-cyano-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 133096940
5,6-dimethyl-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096333
6-amino-2-nitro-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096269
6-bromo-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119012441
6-amino-3-methoxypyridine-2-carbonitrile
CID 118607484
5-amino-6-(chloromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131312179
3-amino-6-formyl-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095236
3-amino-6-(chloromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131393888

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methoxy-4-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 6-amino-3-methoxy-4-(trifluoromethoxy)pyridine-2-carbonitrile (CID 131467977) is 6-amino-3-methoxy-4-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 6-amino-3-methoxy-4-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 6-amino-3-methoxy-4-(trifluoromethoxy)pyridine-2-carbonitrile is COc1c(OC(F)(F)F)cc(N)nc1C#N.
What is the InChIKey of 6-amino-3-methoxy-4-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is GJHPFWYSPCFJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O2/c1-15-7-4(3-12)14-6(13)2-5(7)16-8(9,10)11/h2H,1H3,(H2,13,14).
What are the key properties of 6-amino-3-methoxy-4-(trifluoromethoxy)pyridine-2-carbonitrile?
6-amino-3-methoxy-4-(trifluoromethoxy)pyridine-2-carbonitrile has a molecular weight of 233.15 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methoxy-4-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 131467977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).