2-chloro-5-[2-(5-cyclopropylimidazol-1-yl)ethyl]pyridine

C13H14ClN3 — CID 116811691

IUPAC2-chloro-5-[2-(5-cyclopropylimidazol-1-yl)ethyl]pyridine
SMILESClc1ccc(CCn2cncc2C2CC2)cn1
InChIInChI=1S/C13H14ClN3/c14-13-4-1-10(7-16-13)5-6-17-9-15-8-12(17)11-2-3-11/h1,4,7-9,11H,2-3,5-6H2
InChIKeyIYYXWCIZVNNHPS-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.05
Rot. Bonds4

About 2-chloro-5-[2-(5-cyclopropylimidazol-1-yl)ethyl]pyridine

2-chloro-5-[2-(5-cyclopropylimidazol-1-yl)ethyl]pyridine (PubChem CID 116811691) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-chloro-5-[2-(5-cyclopropylimidazol-1-yl)ethyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[2-(5-cyclopropylimidazol-1-yl)ethyl]pyridine
PubChem CID116811691
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name2-chloro-5-[2-(5-cyclopropylimidazol-1-yl)ethyl]pyridine
SMILESClc1ccc(CCn2cncc2C2CC2)cn1
InChIInChI=1S/C13H14ClN3/c14-13-4-1-10(7-16-13)5-6-17-9-15-8-12(17)11-2-3-11/h1,4,7-9,11H,2-3,5-6H2
InChIKeyIYYXWCIZVNNHPS-UHFFFAOYSA-N
XLogP3.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114704864
3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114704865
5-cyclopropyl-1-[(4-fluorophenyl)methyl]imidazole
CID 116811649
3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114703121
1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole
CID 114716968
3-[(6-chloro-3-pyridinyl)methyl]-1-methylpyrrolidin-2-one
CID 18759786
4-[(6-chloro-3-pyridinyl)methyl]-1-methylpyrrolidin-2-one
CID 178122073
4-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]piperidine
CID 106106979
2-chloro-5-(1,2,4-triazol-4-ylmethyl)pyridine
CID 178122205
4-[(5-piperidin-4-ylimidazol-1-yl)methyl]pyridine
CID 114703940
5-cyclopropyl-1-[(2,4-dimethylphenyl)methyl]imidazole
CID 116811663
4-[3-(2-ethylsulfonylethyl)imidazol-4-yl]piperidine
CID 114112555

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(5-cyclopropylimidazol-1-yl)ethyl]pyridine?
The IUPAC name of 2-chloro-5-[2-(5-cyclopropylimidazol-1-yl)ethyl]pyridine (CID 116811691) is 2-chloro-5-[2-(5-cyclopropylimidazol-1-yl)ethyl]pyridine.
What is the SMILES notation for 2-chloro-5-[2-(5-cyclopropylimidazol-1-yl)ethyl]pyridine?
The canonical SMILES for 2-chloro-5-[2-(5-cyclopropylimidazol-1-yl)ethyl]pyridine is Clc1ccc(CCn2cncc2C2CC2)cn1.
What is the InChIKey of 2-chloro-5-[2-(5-cyclopropylimidazol-1-yl)ethyl]pyridine?
The InChIKey is IYYXWCIZVNNHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c14-13-4-1-10(7-16-13)5-6-17-9-15-8-12(17)11-2-3-11/h1,4,7-9,11H,2-3,5-6H2.
What are the key properties of 2-chloro-5-[2-(5-cyclopropylimidazol-1-yl)ethyl]pyridine?
2-chloro-5-[2-(5-cyclopropylimidazol-1-yl)ethyl]pyridine has a molecular weight of 247.73 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(5-cyclopropylimidazol-1-yl)ethyl]pyridine is sourced from PubChem (CID 116811691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).