5-chloro-2-[(2-fluorophenyl)methylsulfanyl]pyridine

C12H9ClFNS — CID 112815230

IUPAC5-chloro-2-[(2-fluorophenyl)methylsulfanyl]pyridine
SMILESFc1ccccc1CSc1ccc(Cl)cn1
InChIInChI=1S/C12H9ClFNS/c13-10-5-6-12(15-7-10)16-8-9-3-1-2-4-11(9)14/h1-7H,8H2
InChIKeyKTUGJJRZBWBPNO-UHFFFAOYSA-N
MW253.73 g/mol
LogP4.17
Rot. Bonds3

About 5-chloro-2-[(2-fluorophenyl)methylsulfanyl]pyridine

5-chloro-2-[(2-fluorophenyl)methylsulfanyl]pyridine (PubChem CID 112815230) has the molecular formula C12H9ClFNS and a molecular weight of 253.73 g/mol. Its IUPAC name is 5-chloro-2-[(2-fluorophenyl)methylsulfanyl]pyridine.

Molecular Properties

Compound Name5-chloro-2-[(2-fluorophenyl)methylsulfanyl]pyridine
PubChem CID112815230
Molecular FormulaC12H9ClFNS
Molecular Weight253.73 g/mol
Exact Mass253.01
IUPAC Name5-chloro-2-[(2-fluorophenyl)methylsulfanyl]pyridine
SMILESFc1ccccc1CSc1ccc(Cl)cn1
InChIInChI=1S/C12H9ClFNS/c13-10-5-6-12(15-7-10)16-8-9-3-1-2-4-11(9)14/h1-7H,8H2
InChIKeyKTUGJJRZBWBPNO-UHFFFAOYSA-N
XLogP4.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chloro-2-pyridinyl)sulfanylmethyl]benzonitrile
CID 60732942
3-[(5-chloro-2-pyridinyl)sulfanylmethyl]-2-fluorobenzoic acid
CID 107119895
4-chloro-2-[(5-chloro-2-pyridinyl)sulfanylmethyl]aniline
CID 79582761
5-[(2-fluorophenyl)methylsulfanyl]pyridin-2-amine
CID 43302227
6-[(2,3-difluorophenyl)methylsulfanyl]pyridine-3-carboxylic acid
CID 61304812
5-chloro-2-(2-phenoxyethylsulfanyl)pyridine
CID 112815251
1-fluoro-2-[[(2-fluorophenyl)methyldisulfanyl]methyl]benzene
CID 87128685
6-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43301399
5-chloro-2-[1-(2-fluorophenyl)ethylsulfanyl]pyridine
CID 112832335
1-chloro-2-fluoro-4-[(2-fluorophenyl)methylsulfanyl]benzene
CID 91658064
6-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-methylpyridin-2-amine
CID 79238731
1-fluoro-2-[(4-fluorophenyl)sulfanylmethyl]benzene
CID 91658314

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-fluorophenyl)methylsulfanyl]pyridine?
The IUPAC name of 5-chloro-2-[(2-fluorophenyl)methylsulfanyl]pyridine (CID 112815230) is 5-chloro-2-[(2-fluorophenyl)methylsulfanyl]pyridine.
What is the SMILES notation for 5-chloro-2-[(2-fluorophenyl)methylsulfanyl]pyridine?
The canonical SMILES for 5-chloro-2-[(2-fluorophenyl)methylsulfanyl]pyridine is Fc1ccccc1CSc1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-2-[(2-fluorophenyl)methylsulfanyl]pyridine?
The InChIKey is KTUGJJRZBWBPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNS/c13-10-5-6-12(15-7-10)16-8-9-3-1-2-4-11(9)14/h1-7H,8H2.
What are the key properties of 5-chloro-2-[(2-fluorophenyl)methylsulfanyl]pyridine?
5-chloro-2-[(2-fluorophenyl)methylsulfanyl]pyridine has a molecular weight of 253.73 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-fluorophenyl)methylsulfanyl]pyridine is sourced from PubChem (CID 112815230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).