2-chloro-5-(imidazol-1-ylmethyl)-3-thiophen-2-ylpyridine

C13H10ClN3S — CID 70680997

IUPAC2-chloro-5-(imidazol-1-ylmethyl)-3-thiophen-2-ylpyridine
SMILESClc1ncc(Cn2ccnc2)cc1-c1cccs1
InChIInChI=1S/C13H10ClN3S/c14-13-11(12-2-1-5-18-12)6-10(7-16-13)8-17-4-3-15-9-17/h1-7,9H,8H2
InChIKeyGHAFHJPLACVZAO-UHFFFAOYSA-N
MW275.76 g/mol
LogP3.71
Rot. Bonds3

About 2-chloro-5-(imidazol-1-ylmethyl)-3-thiophen-2-ylpyridine

2-chloro-5-(imidazol-1-ylmethyl)-3-thiophen-2-ylpyridine (PubChem CID 70680997) has the molecular formula C13H10ClN3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 2-chloro-5-(imidazol-1-ylmethyl)-3-thiophen-2-ylpyridine.

Molecular Properties

Compound Name2-chloro-5-(imidazol-1-ylmethyl)-3-thiophen-2-ylpyridine
PubChem CID70680997
Molecular FormulaC13H10ClN3S
Molecular Weight275.76 g/mol
Exact Mass275.03
IUPAC Name2-chloro-5-(imidazol-1-ylmethyl)-3-thiophen-2-ylpyridine
SMILESClc1ncc(Cn2ccnc2)cc1-c1cccs1
InChIInChI=1S/C13H10ClN3S/c14-13-11(12-2-1-5-18-12)6-10(7-16-13)8-17-4-3-15-9-17/h1-7,9H,8H2
InChIKeyGHAFHJPLACVZAO-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(imidazol-1-ylmethyl)-3-thiophen-2-ylpyridine?
The IUPAC name of 2-chloro-5-(imidazol-1-ylmethyl)-3-thiophen-2-ylpyridine (CID 70680997) is 2-chloro-5-(imidazol-1-ylmethyl)-3-thiophen-2-ylpyridine.
What is the SMILES notation for 2-chloro-5-(imidazol-1-ylmethyl)-3-thiophen-2-ylpyridine?
The canonical SMILES for 2-chloro-5-(imidazol-1-ylmethyl)-3-thiophen-2-ylpyridine is Clc1ncc(Cn2ccnc2)cc1-c1cccs1.
What is the InChIKey of 2-chloro-5-(imidazol-1-ylmethyl)-3-thiophen-2-ylpyridine?
The InChIKey is GHAFHJPLACVZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3S/c14-13-11(12-2-1-5-18-12)6-10(7-16-13)8-17-4-3-15-9-17/h1-7,9H,8H2.
What are the key properties of 2-chloro-5-(imidazol-1-ylmethyl)-3-thiophen-2-ylpyridine?
2-chloro-5-(imidazol-1-ylmethyl)-3-thiophen-2-ylpyridine 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-chloro-5-(imidazol-1-ylmethyl)-3-thiophen-2-ylpyridine is sourced from PubChem (CID 70680997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).