4-chloro-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine

C11H10ClNOS — CID 107779318

IUPAC4-chloro-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine
SMILESCc1occc1SCc1cc(Cl)ccn1
InChIInChI=1S/C11H10ClNOS/c1-8-11(3-5-14-8)15-7-10-6-9(12)2-4-13-10/h2-6H,7H2,1H3
InChIKeyRSIFUAMQEPUKRT-UHFFFAOYSA-N
MW239.73 g/mol
LogP3.93
Rot. Bonds3

About 4-chloro-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine

4-chloro-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine (PubChem CID 107779318) has the molecular formula C11H10ClNOS and a molecular weight of 239.73 g/mol. Its IUPAC name is 4-chloro-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name4-chloro-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine
PubChem CID107779318
Molecular FormulaC11H10ClNOS
Molecular Weight239.73 g/mol
Exact Mass239.02
IUPAC Name4-chloro-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine
SMILESCc1occc1SCc1cc(Cl)ccn1
InChIInChI=1S/C11H10ClNOS/c1-8-11(3-5-14-8)15-7-10-6-9(12)2-4-13-10/h2-6H,7H2,1H3
InChIKeyRSIFUAMQEPUKRT-UHFFFAOYSA-N
XLogP3.93
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine?
The IUPAC name of 4-chloro-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine (CID 107779318) is 4-chloro-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine.
What is the SMILES notation for 4-chloro-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine?
The canonical SMILES for 4-chloro-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine is Cc1occc1SCc1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine?
The InChIKey is RSIFUAMQEPUKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS/c1-8-11(3-5-14-8)15-7-10-6-9(12)2-4-13-10/h2-6H,7H2,1H3.
What are the key properties of 4-chloro-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine?
4-chloro-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine has a molecular weight of 239.73 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine is sourced from PubChem (CID 107779318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).