2-amino-5-methoxy-3-(trifluoromethoxy)pyridine-4-carbonitrile

C8H6F3N3O2 — CID 118996877

IUPAC2-amino-5-methoxy-3-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESCOc1cnc(N)c(OC(F)(F)F)c1C#N
InChIInChI=1S/C8H6F3N3O2/c1-15-5-3-14-7(13)6(4(5)2-12)16-8(9,10)11/h3H,1H3,(H2,13,14)
InChIKeyOHPFDPGIZYXEBZ-UHFFFAOYSA-N
MW233.15 g/mol
LogP1.44
Rot. Bonds2

About 2-amino-5-methoxy-3-(trifluoromethoxy)pyridine-4-carbonitrile

2-amino-5-methoxy-3-(trifluoromethoxy)pyridine-4-carbonitrile (PubChem CID 118996877) has the molecular formula C8H6F3N3O2 and a molecular weight of 233.15 g/mol. Its IUPAC name is 2-amino-5-methoxy-3-(trifluoromethoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-amino-5-methoxy-3-(trifluoromethoxy)pyridine-4-carbonitrile
PubChem CID118996877
Molecular FormulaC8H6F3N3O2
Molecular Weight233.15 g/mol
Exact Mass233.04
IUPAC Name2-amino-5-methoxy-3-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESCOc1cnc(N)c(OC(F)(F)F)c1C#N
InChIInChI=1S/C8H6F3N3O2/c1-15-5-3-14-7(13)6(4(5)2-12)16-8(9,10)11/h3H,1H3,(H2,13,14)
InChIKeyOHPFDPGIZYXEBZ-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

2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119025125
2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119011895
2-amino-5-fluoro-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119020973
6-amino-4-methyl-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131630348
2-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119004128
methyl 2-amino-3-cyano-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 133096925
6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119000736
2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridin-3-amine
CID 133086232
2-amino-4-cyano-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131468991
6-amino-4-methoxy-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131504220
4-bromo-2-methyl-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118839363
6-amino-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 119021778

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-3-(trifluoromethoxy)pyridine-4-carbonitrile?
The IUPAC name of 2-amino-5-methoxy-3-(trifluoromethoxy)pyridine-4-carbonitrile (CID 118996877) is 2-amino-5-methoxy-3-(trifluoromethoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 2-amino-5-methoxy-3-(trifluoromethoxy)pyridine-4-carbonitrile?
The canonical SMILES for 2-amino-5-methoxy-3-(trifluoromethoxy)pyridine-4-carbonitrile is COc1cnc(N)c(OC(F)(F)F)c1C#N.
What is the InChIKey of 2-amino-5-methoxy-3-(trifluoromethoxy)pyridine-4-carbonitrile?
The InChIKey is OHPFDPGIZYXEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O2/c1-15-5-3-14-7(13)6(4(5)2-12)16-8(9,10)11/h3H,1H3,(H2,13,14).
What are the key properties of 2-amino-5-methoxy-3-(trifluoromethoxy)pyridine-4-carbonitrile?
2-amino-5-methoxy-3-(trifluoromethoxy)pyridine-4-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 2-amino-5-methoxy-3-(trifluoromethoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 118996877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).