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

C8H5F4N3O — CID 131434041

IUPAC5-amino-4-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(CF)c(N)c(OC(F)(F)F)n1
InChIInChI=1S/C8H5F4N3O/c9-2-4-1-5(3-13)15-7(6(4)14)16-8(10,11)12/h1H,2,14H2
InChIKeySUSFTSBCPLSZHL-UHFFFAOYSA-N
MW235.14 g/mol
LogP1.90
Rot. Bonds2

About 5-amino-4-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile

5-amino-4-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 131434041) has the molecular formula C8H5F4N3O and a molecular weight of 235.14 g/mol. Its IUPAC name is 5-amino-4-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-4-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID131434041
Molecular FormulaC8H5F4N3O
Molecular Weight235.14 g/mol
Exact Mass235.04
IUPAC Name5-amino-4-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(CF)c(N)c(OC(F)(F)F)n1
InChIInChI=1S/C8H5F4N3O/c9-2-4-1-5(3-13)15-7(6(4)14)16-8(10,11)12/h1H,2,14H2
InChIKeySUSFTSBCPLSZHL-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

5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131279576
4-amino-5-(cyanomethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118833213
ethyl 3-amino-6-cyano-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 133096589
5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133094874
2-[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133086423
[3-amino-6-(aminomethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 133085846
4-amino-5-(fluoromethyl)-2-(trifluoromethoxy)pyridin-3-ol
CID 118811668
6-amino-4-(chloromethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131612363
5-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 129319143
6-amino-5-hydroxy-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118997448
6-amino-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131392806
6-cyano-2-(trifluoromethoxy)pyridine-3-sulfonamide
CID 133096320

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 5-amino-4-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile (CID 131434041) is 5-amino-4-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 5-amino-4-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 5-amino-4-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile is N#Cc1cc(CF)c(N)c(OC(F)(F)F)n1.
What is the InChIKey of 5-amino-4-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is SUSFTSBCPLSZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4N3O/c9-2-4-1-5(3-13)15-7(6(4)14)16-8(10,11)12/h1H,2,14H2.
What are the key properties of 5-amino-4-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile?
5-amino-4-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-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 5-amino-4-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 131434041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).