2-(4-fluorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-3-amine

C12H8F4N2S — CID 139640007

IUPAC2-(4-fluorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-3-amine
SMILESNc1cc(C(F)(F)F)cnc1Sc1ccc(F)cc1
InChIInChI=1S/C12H8F4N2S/c13-8-1-3-9(4-2-8)19-11-10(17)5-7(6-18-11)12(14,15)16/h1-6H,17H2
InChIKeyABCDGTBIAUGOJH-UHFFFAOYSA-N
MW288.27 g/mol
LogP3.97
Rot. Bonds2

About 2-(4-fluorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-3-amine

2-(4-fluorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-3-amine (PubChem CID 139640007) has the molecular formula C12H8F4N2S and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-3-amine
PubChem CID139640007
Molecular FormulaC12H8F4N2S
Molecular Weight288.27 g/mol
Exact Mass288.03
IUPAC Name2-(4-fluorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-3-amine
SMILESNc1cc(C(F)(F)F)cnc1Sc1ccc(F)cc1
InChIInChI=1S/C12H8F4N2S/c13-8-1-3-9(4-2-8)19-11-10(17)5-7(6-18-11)12(14,15)16/h1-6H,17H2
InChIKeyABCDGTBIAUGOJH-UHFFFAOYSA-N
XLogP3.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine
CID 66281341
5-amino-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-3-carbonitrile
CID 103470800
N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]formamide
CID 168653010
3-chloro-2-(4-isothiocyanatophenyl)sulfanyl-5-(trifluoromethyl)pyridine
CID 4071172
2-chloro-N'-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]ethanimidamide
CID 169367812
5-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-fluoroaniline
CID 14517537
5-amino-6-(3,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid
CID 81440018
4-amino-5-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329632
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3,5-difluoroaniline
CID 61371607
4-(4-fluorophenyl)sulfanylquinazolin-6-amine
CID 64588532
2-methylsulfanyl-3-nitro-5-(trifluoromethyl)pyridine
CID 125116609
2-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 71277568

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-3-amine (CID 139640007) is 2-(4-fluorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-3-amine is Nc1cc(C(F)(F)F)cnc1Sc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-3-amine?
The InChIKey is ABCDGTBIAUGOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2S/c13-8-1-3-9(4-2-8)19-11-10(17)5-7(6-18-11)12(14,15)16/h1-6H,17H2.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-3-amine?
2-(4-fluorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-3-amine has a molecular weight of 288.27 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 139640007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).