2-(5-chlorothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine

C13H10ClN3S — CID 67511528

IUPAC2-(5-chlorothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine
SMILESClc1ccc(-c2ccc(Cn3ccnc3)cn2)s1
InChIInChI=1S/C13H10ClN3S/c14-13-4-3-12(18-13)11-2-1-10(7-16-11)8-17-6-5-15-9-17/h1-7,9H,8H2
InChIKeyFDAVPEDTGURGBQ-UHFFFAOYSA-N
MW275.76 g/mol
LogP3.71
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine

2-(5-chlorothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine (PubChem CID 67511528) has the molecular formula C13H10ClN3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine
PubChem CID67511528
Molecular FormulaC13H10ClN3S
Molecular Weight275.76 g/mol
Exact Mass275.03
IUPAC Name2-(5-chlorothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine
SMILESClc1ccc(-c2ccc(Cn3ccnc3)cn2)s1
InChIInChI=1S/C13H10ClN3S/c14-13-4-3-12(18-13)11-2-1-10(7-16-11)8-17-6-5-15-9-17/h1-7,9H,8H2
InChIKeyFDAVPEDTGURGBQ-UHFFFAOYSA-N
XLogP3.71
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine (CID 67511528) is 2-(5-chlorothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine is Clc1ccc(-c2ccc(Cn3ccnc3)cn2)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine?
The InChIKey is FDAVPEDTGURGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3S/c14-13-4-3-12(18-13)11-2-1-10(7-16-11)8-17-6-5-15-9-17/h1-7,9H,8H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine?
2-(5-chlorothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine has a molecular weight of 275.76 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine is sourced from PubChem (CID 67511528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).