3-chloro-2-[[(1S)-2,2-dichlorocyclopropyl]methylsulfanyl]-5-(trifluoromethyl)pyridine

C10H7Cl3F3NS — CID 1473940

IUPAC3-chloro-2-[[(1S)-2,2-dichlorocyclopropyl]methylsulfanyl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(SC[C@@H]2CC2(Cl)Cl)c(Cl)c1
InChIInChI=1S/C10H7Cl3F3NS/c11-7-1-5(10(14,15)16)3-17-8(7)18-4-6-2-9(6,12)13/h1,3,6H,2,4H2/t6-/m0/s1
InChIKeyGMSPZAKAUZKINW-LURJTMIESA-N
MW336.59 g/mol
LogP5.04
Rot. Bonds3

About 3-chloro-2-[[(1S)-2,2-dichlorocyclopropyl]methylsulfanyl]-5-(trifluoromethyl)pyridine

3-chloro-2-[[(1S)-2,2-dichlorocyclopropyl]methylsulfanyl]-5-(trifluoromethyl)pyridine (PubChem CID 1473940) has the molecular formula C10H7Cl3F3NS and a molecular weight of 336.59 g/mol. Its IUPAC name is 3-chloro-2-[[(1S)-2,2-dichlorocyclopropyl]methylsulfanyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[[(1S)-2,2-dichlorocyclopropyl]methylsulfanyl]-5-(trifluoromethyl)pyridine
PubChem CID1473940
Molecular FormulaC10H7Cl3F3NS
Molecular Weight336.59 g/mol
Exact Mass334.93
IUPAC Name3-chloro-2-[[(1S)-2,2-dichlorocyclopropyl]methylsulfanyl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(SC[C@@H]2CC2(Cl)Cl)c(Cl)c1
InChIInChI=1S/C10H7Cl3F3NS/c11-7-1-5(10(14,15)16)3-17-8(7)18-4-6-2-9(6,12)13/h1,3,6H,2,4H2/t6-/m0/s1
InChIKeyGMSPZAKAUZKINW-LURJTMIESA-N
XLogP5.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.59
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[(1S)-2,2-dichlorocyclopropyl]methylsulfanyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[[(1S)-2,2-dichlorocyclopropyl]methylsulfanyl]-5-(trifluoromethyl)pyridine (CID 1473940) is 3-chloro-2-[[(1S)-2,2-dichlorocyclopropyl]methylsulfanyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[[(1S)-2,2-dichlorocyclopropyl]methylsulfanyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[[(1S)-2,2-dichlorocyclopropyl]methylsulfanyl]-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(SC[C@@H]2CC2(Cl)Cl)c(Cl)c1.
What is the InChIKey of 3-chloro-2-[[(1S)-2,2-dichlorocyclopropyl]methylsulfanyl]-5-(trifluoromethyl)pyridine?
The InChIKey is GMSPZAKAUZKINW-LURJTMIESA-N. The full InChI is InChI=1S/C10H7Cl3F3NS/c11-7-1-5(10(14,15)16)3-17-8(7)18-4-6-2-9(6,12)13/h1,3,6H,2,4H2/t6-/m0/s1.
What are the key properties of 3-chloro-2-[[(1S)-2,2-dichlorocyclopropyl]methylsulfanyl]-5-(trifluoromethyl)pyridine?
3-chloro-2-[[(1S)-2,2-dichlorocyclopropyl]methylsulfanyl]-5-(trifluoromethyl)pyridine has a molecular weight of 336.59 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[(1S)-2,2-dichlorocyclopropyl]methylsulfanyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 1473940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).