2-chloro-4-[(2-fluorophenyl)sulfanylmethyl]pyridine

C12H9ClFNS — CID 62046668

IUPAC2-chloro-4-[(2-fluorophenyl)sulfanylmethyl]pyridine
SMILESFc1ccccc1SCc1ccnc(Cl)c1
InChIInChI=1S/C12H9ClFNS/c13-12-7-9(5-6-15-12)8-16-11-4-2-1-3-10(11)14/h1-7H,8H2
InChIKeyYGBKCMTXSGQAPR-UHFFFAOYSA-N
MW253.73 g/mol
LogP4.17
Rot. Bonds3

About 2-chloro-4-[(2-fluorophenyl)sulfanylmethyl]pyridine

2-chloro-4-[(2-fluorophenyl)sulfanylmethyl]pyridine (PubChem CID 62046668) has the molecular formula C12H9ClFNS and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-chloro-4-[(2-fluorophenyl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[(2-fluorophenyl)sulfanylmethyl]pyridine
PubChem CID62046668
Molecular FormulaC12H9ClFNS
Molecular Weight253.73 g/mol
Exact Mass253.01
IUPAC Name2-chloro-4-[(2-fluorophenyl)sulfanylmethyl]pyridine
SMILESFc1ccccc1SCc1ccnc(Cl)c1
InChIInChI=1S/C12H9ClFNS/c13-12-7-9(5-6-15-12)8-16-11-4-2-1-3-10(11)14/h1-7H,8H2
InChIKeyYGBKCMTXSGQAPR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[(2,4-difluorophenyl)sulfanylmethyl]pyridine
CID 62045799
2-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]pyridine
CID 62045800
2-chloro-4-[(2-methylphenyl)sulfanylmethyl]pyridine
CID 62298564
4-[(2-fluorophenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63885602
2-chloro-4-(pyridin-2-ylsulfanylmethyl)pyridine
CID 62046671
4,6-dichloro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine
CID 66052660
5-benzylsulfanyl-2-chloro-4-fluoropyridine
CID 171096656
2-chloro-4-[(2,6-difluorophenoxy)methyl]pyridine
CID 78987592
4,6-dichloro-5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine
CID 80550431
1-fluoro-2-[(4-iodophenyl)methylsulfanyl]benzene
CID 65491729
2-chloro-4-(fluoromethyl)pyridine
CID 105428891
2-fluoro-5-[(2-fluorophenyl)sulfanylmethyl]benzonitrile
CID 103758746

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-fluorophenyl)sulfanylmethyl]pyridine?
The IUPAC name of 2-chloro-4-[(2-fluorophenyl)sulfanylmethyl]pyridine (CID 62046668) is 2-chloro-4-[(2-fluorophenyl)sulfanylmethyl]pyridine.
What is the SMILES notation for 2-chloro-4-[(2-fluorophenyl)sulfanylmethyl]pyridine?
The canonical SMILES for 2-chloro-4-[(2-fluorophenyl)sulfanylmethyl]pyridine is Fc1ccccc1SCc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-4-[(2-fluorophenyl)sulfanylmethyl]pyridine?
The InChIKey is YGBKCMTXSGQAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNS/c13-12-7-9(5-6-15-12)8-16-11-4-2-1-3-10(11)14/h1-7H,8H2.
What are the key properties of 2-chloro-4-[(2-fluorophenyl)sulfanylmethyl]pyridine?
2-chloro-4-[(2-fluorophenyl)sulfanylmethyl]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 2-chloro-4-[(2-fluorophenyl)sulfanylmethyl]pyridine is sourced from PubChem (CID 62046668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).