3-chloro-2-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridine

C12H9ClF3NS — CID 20732075

IUPAC3-chloro-2-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridine
SMILESCc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1
InChIInChI=1S/C12H9ClF3NS/c1-7-2-3-9(18-7)5-11-10(13)4-8(6-17-11)12(14,15)16/h2-4,6H,5H2,1H3
InChIKeyQJQLKWMVYOBSPS-UHFFFAOYSA-N
MW291.73 g/mol
LogP4.71
Rot. Bonds2

About 3-chloro-2-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridine

3-chloro-2-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridine (PubChem CID 20732075) has the molecular formula C12H9ClF3NS and a molecular weight of 291.73 g/mol. Its IUPAC name is 3-chloro-2-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridine
PubChem CID20732075
Molecular FormulaC12H9ClF3NS
Molecular Weight291.73 g/mol
Exact Mass291.01
IUPAC Name3-chloro-2-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridine
SMILESCc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1
InChIInChI=1S/C12H9ClF3NS/c1-7-2-3-9(18-7)5-11-10(13)4-8(6-17-11)12(14,15)16/h2-4,6H,5H2,1H3
InChIKeyQJQLKWMVYOBSPS-UHFFFAOYSA-N
XLogP4.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridine (CID 20732075) is 3-chloro-2-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridine is Cc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1.
What is the InChIKey of 3-chloro-2-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridine?
The InChIKey is QJQLKWMVYOBSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3NS/c1-7-2-3-9(18-7)5-11-10(13)4-8(6-17-11)12(14,15)16/h2-4,6H,5H2,1H3.
What are the key properties of 3-chloro-2-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridine?
3-chloro-2-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridine has a molecular weight of 291.73 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 20732075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).