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

C8H5F4N3O — CID 131392806

IUPAC6-amino-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1c(OC(F)(F)F)cc(N)nc1CF
InChIInChI=1S/C8H5F4N3O/c9-2-5-4(3-13)6(1-7(14)15-5)16-8(10,11)12/h1H,2H2,(H2,14,15)
InChIKeyXEPDYKOLDVOMCY-UHFFFAOYSA-N
MW235.14 g/mol
LogP1.90
Rot. Bonds2

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

6-amino-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 131392806) has the molecular formula C8H5F4N3O and a molecular weight of 235.14 g/mol. Its IUPAC name is 6-amino-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID131392806
Molecular FormulaC8H5F4N3O
Molecular Weight235.14 g/mol
Exact Mass235.04
IUPAC Name6-amino-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1c(OC(F)(F)F)cc(N)nc1CF
InChIInChI=1S/C8H5F4N3O/c9-2-5-4(3-13)6(1-7(14)15-5)16-8(10,11)12/h1H,2H2,(H2,14,15)
InChIKeyXEPDYKOLDVOMCY-UHFFFAOYSA-N
XLogP1.90
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.14
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131630346
6-amino-2-nitro-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096269
2-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119004128
6-amino-4-methoxy-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131504220
3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118844852
2-amino-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119001123
6-amino-3-methoxy-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131467977
6-amino-4-(chloromethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131612363
2-(aminomethyl)-4-fluoro-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118836746
5-amino-6-(chloromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131312179
6-amino-2-(cyanomethyl)-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118994523
2,4-diamino-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095435

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 6-amino-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile (CID 131392806) is 6-amino-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 6-amino-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile is N#Cc1c(OC(F)(F)F)cc(N)nc1CF.
What is the InChIKey of 6-amino-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is XEPDYKOLDVOMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4N3O/c9-2-5-4(3-13)6(1-7(14)15-5)16-8(10,11)12/h1H,2H2,(H2,14,15).
What are the key properties of 6-amino-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile?
6-amino-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile has a molecular weight of 235.14 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 131392806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).