2-[chloro(difluoro)methyl]-5-[(1R)-1-methylsulfanylethyl]pyridine

C9H10ClF2NS — CID 124565984

IUPAC2-[chloro(difluoro)methyl]-5-[(1R)-1-methylsulfanylethyl]pyridine
SMILESCS[C@H](C)c1ccc(C(F)(F)Cl)nc1
InChIInChI=1S/C9H10ClF2NS/c1-6(14-2)7-3-4-8(13-5-7)9(10,11)12/h3-6H,1-2H3/t6-/m1/s1
InChIKeyPHBHUOZUNYIUKS-ZCFIWIBFSA-N
MW237.70 g/mol
LogP3.79
Rot. Bonds3

About 2-[chloro(difluoro)methyl]-5-[(1R)-1-methylsulfanylethyl]pyridine

2-[chloro(difluoro)methyl]-5-[(1R)-1-methylsulfanylethyl]pyridine (PubChem CID 124565984) has the molecular formula C9H10ClF2NS and a molecular weight of 237.70 g/mol. Its IUPAC name is 2-[chloro(difluoro)methyl]-5-[(1R)-1-methylsulfanylethyl]pyridine.

Molecular Properties

Compound Name2-[chloro(difluoro)methyl]-5-[(1R)-1-methylsulfanylethyl]pyridine
PubChem CID124565984
Molecular FormulaC9H10ClF2NS
Molecular Weight237.70 g/mol
Exact Mass237.02
IUPAC Name2-[chloro(difluoro)methyl]-5-[(1R)-1-methylsulfanylethyl]pyridine
SMILESCS[C@H](C)c1ccc(C(F)(F)Cl)nc1
InChIInChI=1S/C9H10ClF2NS/c1-6(14-2)7-3-4-8(13-5-7)9(10,11)12/h3-6H,1-2H3/t6-/m1/s1
InChIKeyPHBHUOZUNYIUKS-ZCFIWIBFSA-N
XLogP3.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.70
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(1R)-1-methylsulfanylethyl]-2-(1,1,2,2,2-pentafluoroethyl)pyridine
CID 124566857
1-[6-[chloro(difluoro)methyl]-3-pyridinyl]ethanethiol
CID 88935375
2-[chloro(fluoro)methyl]-5-(1-methylsulfanylethyl)pyridine
CID 143527381
[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]azanium
CID 164715814
5-(1-iodoethyl)-2-(trifluoromethyl)pyridine
CID 142294771
5-(1-chloroethyl)-2-[difluoro(iodo)methyl]pyridine
CID 89289651
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-propan-2-ylpyridine
CID 135234346
5-[(2S)-butan-2-yl]-2-(trifluoromethyl)pyridine
CID 66695263
5-(1-sulfinylpropan-2-yl)-2-(trifluoromethyl)pyridine
CID 87392243
5-(1-methylsulfinylethyl)-2-(trichloromethyl)pyridine
CID 70884153
1-(1-methylsulfanylethyl)-4-propan-2-ylbenzene
CID 154539866
1-[6-(trifluoromethyl)-3-pyridinyl]ethylhydrazine;hydrochloride
CID 137356558

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(difluoro)methyl]-5-[(1R)-1-methylsulfanylethyl]pyridine?
The IUPAC name of 2-[chloro(difluoro)methyl]-5-[(1R)-1-methylsulfanylethyl]pyridine (CID 124565984) is 2-[chloro(difluoro)methyl]-5-[(1R)-1-methylsulfanylethyl]pyridine.
What is the SMILES notation for 2-[chloro(difluoro)methyl]-5-[(1R)-1-methylsulfanylethyl]pyridine?
The canonical SMILES for 2-[chloro(difluoro)methyl]-5-[(1R)-1-methylsulfanylethyl]pyridine is CS[C@H](C)c1ccc(C(F)(F)Cl)nc1.
What is the InChIKey of 2-[chloro(difluoro)methyl]-5-[(1R)-1-methylsulfanylethyl]pyridine?
The InChIKey is PHBHUOZUNYIUKS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10ClF2NS/c1-6(14-2)7-3-4-8(13-5-7)9(10,11)12/h3-6H,1-2H3/t6-/m1/s1.
What are the key properties of 2-[chloro(difluoro)methyl]-5-[(1R)-1-methylsulfanylethyl]pyridine?
2-[chloro(difluoro)methyl]-5-[(1R)-1-methylsulfanylethyl]pyridine has a molecular weight of 237.70 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(difluoro)methyl]-5-[(1R)-1-methylsulfanylethyl]pyridine is sourced from PubChem (CID 124565984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).