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

C8H6F3N3O — CID 131630346

IUPAC6-amino-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESCc1nc(N)cc(OC(F)(F)F)c1C#N
InChIInChI=1S/C8H6F3N3O/c1-4-5(3-12)6(2-7(13)14-4)15-8(9,10)11/h2H,1H3,(H2,13,14)
InChIKeyWDYVMVRJKLRCFE-UHFFFAOYSA-N
MW217.15 g/mol
LogP1.74
Rot. Bonds1

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

6-amino-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 131630346) has the molecular formula C8H6F3N3O and a molecular weight of 217.15 g/mol. Its IUPAC name is 6-amino-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID131630346
Molecular FormulaC8H6F3N3O
Molecular Weight217.15 g/mol
Exact Mass217.05
IUPAC Name6-amino-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESCc1nc(N)cc(OC(F)(F)F)c1C#N
InChIInChI=1S/C8H6F3N3O/c1-4-5(3-12)6(2-7(13)14-4)15-8(9,10)11/h2H,1H3,(H2,13,14)
InChIKeyWDYVMVRJKLRCFE-UHFFFAOYSA-N
XLogP1.74
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131392806
6-amino-4-methoxy-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131504220
6-amino-2-nitro-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096269
6-methyl-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-amine
CID 171656686
6-amino-3-methoxy-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131467977
2-amino-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119001123
5,6-dimethyl-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096333
6-amino-4-(chloromethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131612363
2,4-diamino-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095435
4-bromo-2-methyl-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118839363
6-amino-3-cyano-2-(trifluoromethoxy)pyridine-4-sulfonamide
CID 133096268
4-cyano-3-methyl-2,5-bis(trifluoromethoxy)benzoic acid
CID 158321792

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 6-amino-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile (CID 131630346) is 6-amino-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 6-amino-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile is Cc1nc(N)cc(OC(F)(F)F)c1C#N.
What is the InChIKey of 6-amino-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is WDYVMVRJKLRCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O/c1-4-5(3-12)6(2-7(13)14-4)15-8(9,10)11/h2H,1H3,(H2,13,14).
What are the key properties of 6-amino-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile?
6-amino-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile has a molecular weight of 217.15 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 131630346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).