3-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine

C16H12ClNS — CID 56665464

IUPAC3-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine
SMILESClc1ccc(C(c2cccnc2)c2cccs2)cc1
InChIInChI=1S/C16H12ClNS/c17-14-7-5-12(6-8-14)16(15-4-2-10-19-15)13-3-1-9-18-11-13/h1-11,16H
InChIKeyDTMNXKRUTRULQG-UHFFFAOYSA-N
MW285.80 g/mol
LogP4.98
Rot. Bonds3

About 3-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine

3-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine (PubChem CID 56665464) has the molecular formula C16H12ClNS and a molecular weight of 285.80 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine
PubChem CID56665464
Molecular FormulaC16H12ClNS
Molecular Weight285.80 g/mol
Exact Mass285.04
IUPAC Name3-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine
SMILESClc1ccc(C(c2cccnc2)c2cccs2)cc1
InChIInChI=1S/C16H12ClNS/c17-14-7-5-12(6-8-14)16(15-4-2-10-19-15)13-3-1-9-18-11-13/h1-11,16H
InChIKeyDTMNXKRUTRULQG-UHFFFAOYSA-N
XLogP4.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine?
The IUPAC name of 3-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine (CID 56665464) is 3-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine.
What is the SMILES notation for 3-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine?
The canonical SMILES for 3-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine is Clc1ccc(C(c2cccnc2)c2cccs2)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine?
The InChIKey is DTMNXKRUTRULQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNS/c17-14-7-5-12(6-8-14)16(15-4-2-10-19-15)13-3-1-9-18-11-13/h1-11,16H.
What are the key properties of 3-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine?
3-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine has a molecular weight of 285.80 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine is sourced from PubChem (CID 56665464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).