5-amino-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-3-carbonitrile

C12H7F3N4S — CID 103470800

IUPAC5-amino-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-3-carbonitrile
SMILESN#Cc1cnc(Sc2ccc(C(F)(F)F)cn2)c(N)c1
InChIInChI=1S/C12H7F3N4S/c13-12(14,15)8-1-2-10(18-6-8)20-11-9(17)3-7(4-16)5-19-11/h1-3,5-6H,17H2
InChIKeyPOZMTKHUHIJEPN-UHFFFAOYSA-N
MW296.28 g/mol
LogP3.10
Rot. Bonds2

About 5-amino-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-3-carbonitrile

5-amino-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-3-carbonitrile (PubChem CID 103470800) has the molecular formula C12H7F3N4S and a molecular weight of 296.28 g/mol. Its IUPAC name is 5-amino-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-3-carbonitrile
PubChem CID103470800
Molecular FormulaC12H7F3N4S
Molecular Weight296.28 g/mol
Exact Mass296.03
IUPAC Name5-amino-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-3-carbonitrile
SMILESN#Cc1cnc(Sc2ccc(C(F)(F)F)cn2)c(N)c1
InChIInChI=1S/C12H7F3N4S/c13-12(14,15)8-1-2-10(18-6-8)20-11-9(17)3-7(4-16)5-19-11/h1-3,5-6H,17H2
InChIKeyPOZMTKHUHIJEPN-UHFFFAOYSA-N
XLogP3.10
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine
CID 66281341
2-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-4-carbonitrile
CID 114769418
3-bromo-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzonitrile
CID 102818339
2-chloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-4-carbonitrile
CID 83077019
4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-2-carbonitrile
CID 55156295
4-nitro-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzonitrile
CID 133478727
5-amino-6-(2-chlorophenyl)sulfanylpyridine-3-carbonitrile
CID 103470794
[5-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-pyridinyl]methanamine
CID 80639286
5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 66319385
5-amino-6-(2,5-dichlorophenyl)sulfanylpyridine-3-carbonitrile
CID 103470786
2,3,5-trichloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine
CID 102752250
2-(4-fluorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-3-amine
CID 139640007

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-3-carbonitrile (CID 103470800) is 5-amino-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-3-carbonitrile is N#Cc1cnc(Sc2ccc(C(F)(F)F)cn2)c(N)c1.
What is the InChIKey of 5-amino-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-3-carbonitrile?
The InChIKey is POZMTKHUHIJEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4S/c13-12(14,15)8-1-2-10(18-6-8)20-11-9(17)3-7(4-16)5-19-11/h1-3,5-6H,17H2.
What are the key properties of 5-amino-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-3-carbonitrile?
5-amino-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-3-carbonitrile has a molecular weight of 296.28 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-3-carbonitrile is sourced from PubChem (CID 103470800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).