2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine

C13H10ClN3S — CID 91642715

IUPAC2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine
SMILESClc1ncccc1Cn1ccc(-c2ccsc2)n1
InChIInChI=1S/C13H10ClN3S/c14-13-10(2-1-5-15-13)8-17-6-3-12(16-17)11-4-7-18-9-11/h1-7,9H,8H2
InChIKeyYGNKWEOGMNCENS-UHFFFAOYSA-N
MW275.76 g/mol
LogP3.71
Rot. Bonds3

About 2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine

2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine (PubChem CID 91642715) has the molecular formula C13H10ClN3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine
PubChem CID91642715
Molecular FormulaC13H10ClN3S
Molecular Weight275.76 g/mol
Exact Mass275.03
IUPAC Name2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine
SMILESClc1ncccc1Cn1ccc(-c2ccsc2)n1
InChIInChI=1S/C13H10ClN3S/c14-13-10(2-1-5-15-13)8-17-6-3-12(16-17)11-4-7-18-9-11/h1-7,9H,8H2
InChIKeyYGNKWEOGMNCENS-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-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine?
The IUPAC name of 2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine (CID 91642715) is 2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine.
What is the SMILES notation for 2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine?
The canonical SMILES for 2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine is Clc1ncccc1Cn1ccc(-c2ccsc2)n1.
What is the InChIKey of 2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine?
The InChIKey is YGNKWEOGMNCENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3S/c14-13-10(2-1-5-15-13)8-17-6-3-12(16-17)11-4-7-18-9-11/h1-7,9H,8H2.
What are the key properties of 2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine?
2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]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-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 91642715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).