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

C8H6F3N3O2 — CID 131504220

IUPAC6-amino-4-methoxy-2-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESCOc1cc(N)nc(OC(F)(F)F)c1C#N
InChIInChI=1S/C8H6F3N3O2/c1-15-5-2-6(13)14-7(4(5)3-12)16-8(9,10)11/h2H,1H3,(H2,13,14)
InChIKeyHKWNLNJLOWKDTJ-UHFFFAOYSA-N
MW233.15 g/mol
LogP1.44
Rot. Bonds2

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

6-amino-4-methoxy-2-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 131504220) has the molecular formula C8H6F3N3O2 and a molecular weight of 233.15 g/mol. Its IUPAC name is 6-amino-4-methoxy-2-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-4-methoxy-2-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID131504220
Molecular FormulaC8H6F3N3O2
Molecular Weight233.15 g/mol
Exact Mass233.04
IUPAC Name6-amino-4-methoxy-2-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESCOc1cc(N)nc(OC(F)(F)F)c1C#N
InChIInChI=1S/C8H6F3N3O2/c1-15-5-2-6(13)14-7(4(5)3-12)16-8(9,10)11/h2H,1H3,(H2,13,14)
InChIKeyHKWNLNJLOWKDTJ-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-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131630346
6-amino-4-(chloromethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131612363
6-amino-3-cyano-2-(trifluoromethoxy)pyridine-4-sulfonamide
CID 133096268
6-amino-3-methoxy-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131467977
6-amino-4-nitro-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096277
6-amino-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131392806
4-amino-6-bromo-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279572
2-amino-5-methoxy-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118996877
5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096355
6-amino-2-nitro-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096269
2-amino-6-methoxy-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131624032
4-amino-2-methoxy-6-(trifluoromethyl)benzonitrile
CID 122362317

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methoxy-2-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 6-amino-4-methoxy-2-(trifluoromethoxy)pyridine-3-carbonitrile (CID 131504220) is 6-amino-4-methoxy-2-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-4-methoxy-2-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 6-amino-4-methoxy-2-(trifluoromethoxy)pyridine-3-carbonitrile is COc1cc(N)nc(OC(F)(F)F)c1C#N.
What is the InChIKey of 6-amino-4-methoxy-2-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is HKWNLNJLOWKDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O2/c1-15-5-2-6(13)14-7(4(5)3-12)16-8(9,10)11/h2H,1H3,(H2,13,14).
What are the key properties of 6-amino-4-methoxy-2-(trifluoromethoxy)pyridine-3-carbonitrile?
6-amino-4-methoxy-2-(trifluoromethoxy)pyridine-3-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-4-methoxy-2-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 131504220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).