6-amino-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonitrile

C8H3F6N3O — CID 119021778

IUPAC6-amino-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(N)c(C(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H3F6N3O/c9-7(10,11)4-5(18-8(12,13)14)3(1-15)2-17-6(4)16/h2H,(H2,16,17)
InChIKeyPTKVKIFZMCKHLI-UHFFFAOYSA-N
MW271.12 g/mol
LogP2.45
Rot. Bonds1

About 6-amino-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonitrile

6-amino-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 119021778) has the molecular formula C8H3F6N3O and a molecular weight of 271.12 g/mol. Its IUPAC name is 6-amino-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID119021778
Molecular FormulaC8H3F6N3O
Molecular Weight271.12 g/mol
Exact Mass271.02
IUPAC Name6-amino-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(N)c(C(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H3F6N3O/c9-7(10,11)4-5(18-8(12,13)14)3(1-15)2-17-6(4)16/h2H,(H2,16,17)
InChIKeyPTKVKIFZMCKHLI-UHFFFAOYSA-N
XLogP2.45
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119000736
6-amino-4-methyl-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131630348
5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131624819
2-[2-amino-5-cyano-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118998425
4-amino-6-bromo-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279573
5-amino-6-(hydroxymethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131600848
5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096082
2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119025125
2-amino-5-fluoro-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119020973
5-(aminomethyl)-6-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131463632
2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119011895
2-amino-5-methoxy-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118996877

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-amino-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonitrile (CID 119021778) is 6-amino-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-amino-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1cnc(N)c(C(F)(F)F)c1OC(F)(F)F.
What is the InChIKey of 6-amino-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is PTKVKIFZMCKHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F6N3O/c9-7(10,11)4-5(18-8(12,13)14)3(1-15)2-17-6(4)16/h2H,(H2,16,17).
What are the key properties of 6-amino-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonitrile?
6-amino-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 271.12 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 119021778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).