5-[(5-chloro-2-pyridinyl)sulfanyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine;hydrochloride

C13H8Cl2F3N3S — CID 171652120

IUPAC5-[(5-chloro-2-pyridinyl)sulfanyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine;hydrochloride
SMILESCl.FC(F)(F)c1cc(Sc2ccc(Cl)cn2)n2ccnc2c1
InChIInChI=1S/C13H7ClF3N3S.ClH/c14-9-1-2-11(19-7-9)21-12-6-8(13(15,16)17)5-10-18-3-4-20(10)12;/h1-7H;1H
InChIKeyBYRAYNYVJAFJJB-UHFFFAOYSA-N
MW366.20 g/mol
LogP4.97
Rot. Bonds2

About 5-[(5-chloro-2-pyridinyl)sulfanyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine;hydrochloride

5-[(5-chloro-2-pyridinyl)sulfanyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine;hydrochloride (PubChem CID 171652120) has the molecular formula C13H8Cl2F3N3S and a molecular weight of 366.20 g/mol. Its IUPAC name is 5-[(5-chloro-2-pyridinyl)sulfanyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine;hydrochloride.

Molecular Properties

Compound Name5-[(5-chloro-2-pyridinyl)sulfanyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine;hydrochloride
PubChem CID171652120
Molecular FormulaC13H8Cl2F3N3S
Molecular Weight366.20 g/mol
Exact Mass364.98
IUPAC Name5-[(5-chloro-2-pyridinyl)sulfanyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine;hydrochloride
SMILESCl.FC(F)(F)c1cc(Sc2ccc(Cl)cn2)n2ccnc2c1
InChIInChI=1S/C13H7ClF3N3S.ClH/c14-9-1-2-11(19-7-9)21-12-6-8(13(15,16)17)5-10-18-3-4-20(10)12;/h1-7H;1H
InChIKeyBYRAYNYVJAFJJB-UHFFFAOYSA-N
XLogP4.97
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-propan-2-ylphenyl)sulfanyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 171652137
3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 118995444
5-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine
CID 102716508
5-[4-(methoxymethyl)phenoxy]-7-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 171652133
2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 55065185
2-chloro-5-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 79076312
2,3,5-trichloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine
CID 102752250
7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 71280482
2-chloro-4-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 55080424
2-chloro-5-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine
CID 83268833
5-chloro-2-(2-chlorophenyl)sulfanylpyridine
CID 66218398
2-[(5-chloro-2-pyridinyl)sulfanyl]-5-iodopyrimidine
CID 116649310

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-pyridinyl)sulfanyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine;hydrochloride?
The IUPAC name of 5-[(5-chloro-2-pyridinyl)sulfanyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine;hydrochloride (CID 171652120) is 5-[(5-chloro-2-pyridinyl)sulfanyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine;hydrochloride.
What is the SMILES notation for 5-[(5-chloro-2-pyridinyl)sulfanyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine;hydrochloride?
The canonical SMILES for 5-[(5-chloro-2-pyridinyl)sulfanyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine;hydrochloride is Cl.FC(F)(F)c1cc(Sc2ccc(Cl)cn2)n2ccnc2c1.
What is the InChIKey of 5-[(5-chloro-2-pyridinyl)sulfanyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine;hydrochloride?
The InChIKey is BYRAYNYVJAFJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3N3S.ClH/c14-9-1-2-11(19-7-9)21-12-6-8(13(15,16)17)5-10-18-3-4-20(10)12;/h1-7H;1H.
What are the key properties of 5-[(5-chloro-2-pyridinyl)sulfanyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine;hydrochloride?
5-[(5-chloro-2-pyridinyl)sulfanyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine;hydrochloride has a molecular weight of 366.20 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-pyridinyl)sulfanyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine;hydrochloride is sourced from PubChem (CID 171652120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).