2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine

C11H15ClFNOS — CID 157058319

IUPAC2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine
SMILESCC(C)(C)[S@](=O)CCc1nccc(Cl)c1F
InChIInChI=1S/C11H15ClFNOS/c1-11(2,3)16(15)7-5-9-10(13)8(12)4-6-14-9/h4,6H,5,7H2,1-3H3/t16-/m1/s1
InChIKeyVKSAOPGBFPMFSY-MRXNPFEDSA-N
MW263.76 g/mol
LogP2.96
Rot. Bonds3

About 2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine

2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine (PubChem CID 157058319) has the molecular formula C11H15ClFNOS and a molecular weight of 263.76 g/mol. Its IUPAC name is 2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine.

Molecular Properties

Compound Name2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine
PubChem CID157058319
Molecular FormulaC11H15ClFNOS
Molecular Weight263.76 g/mol
Exact Mass263.05
IUPAC Name2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine
SMILESCC(C)(C)[S@](=O)CCc1nccc(Cl)c1F
InChIInChI=1S/C11H15ClFNOS/c1-11(2,3)16(15)7-5-9-10(13)8(12)4-6-14-9/h4,6H,5,7H2,1-3H3/t16-/m1/s1
InChIKeyVKSAOPGBFPMFSY-MRXNPFEDSA-N
XLogP2.96
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.76
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-fluoro-2-pyridinyl)methanol
CID 19791242
2-(bromomethyl)-4-chloro-3-fluoropyridine;hydrobromide
CID 138040566
4-chloro-3-fluoro-2-methylpyridine
CID 18727750
(4-chloro-3-fluoro-2-pyridinyl)methylcarbamic acid
CID 139560678
N-[(1S)-1-(4-chloro-3-fluoro-2-pyridinyl)but-3-enyl]-2-methylpropane-2-sulfinamide
CID 90199777
4-bromo-1-(2-tert-butylsulfinylethyl)-2-fluorobenzene
CID 167642800
N-(2-tert-butylsulfinylethyl)-4-methylpyrimidin-2-amine
CID 133304625
ethyl 2-[2-[[7-[2-[2-[(R)-tert-butylsulfinyl]ethyl]-3-fluoro-4-pyridinyl]-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]-4-fluorophenyl]acetate
CID 159122533
N'-[(4-chloro-3-fluoro-2-pyridinyl)methyl]-N-methyl-N-(2-methylpropyl)methanimidamide
CID 54230886
tert-butyl N-(4-chloro-3-fluoro-2-pyridinyl)-N-methylcarbamate
CID 152843772
(1R)-N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-(4-chlorophenyl)ethanamine
CID 97322563
(NE)-N-[(3-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 89405877

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine?
The IUPAC name of 2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine (CID 157058319) is 2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine.
What is the SMILES notation for 2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine?
The canonical SMILES for 2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine is CC(C)(C)[S@](=O)CCc1nccc(Cl)c1F.
What is the InChIKey of 2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine?
The InChIKey is VKSAOPGBFPMFSY-MRXNPFEDSA-N. The full InChI is InChI=1S/C11H15ClFNOS/c1-11(2,3)16(15)7-5-9-10(13)8(12)4-6-14-9/h4,6H,5,7H2,1-3H3/t16-/m1/s1.
What are the key properties of 2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine?
2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine has a molecular weight of 263.76 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine is sourced from PubChem (CID 157058319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).