8-chloro-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine

C13H15ClN2O — CID 117136187

IUPAC8-chloro-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine
SMILESClc1cccn2cc(CC3CCOCC3)nc12
InChIInChI=1S/C13H15ClN2O/c14-12-2-1-5-16-9-11(15-13(12)16)8-10-3-6-17-7-4-10/h1-2,5,9-10H,3-4,6-8H2
InChIKeyAEPHTXMHXGAWRC-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.96
Rot. Bonds2

About 8-chloro-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine

8-chloro-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 117136187) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 8-chloro-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-chloro-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID117136187
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name8-chloro-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine
SMILESClc1cccn2cc(CC3CCOCC3)nc12
InChIInChI=1S/C13H15ClN2O/c14-12-2-1-5-16-9-11(15-13(12)16)8-10-3-6-17-7-4-10/h1-2,5,9-10H,3-4,6-8H2
InChIKeyAEPHTXMHXGAWRC-UHFFFAOYSA-N
XLogP2.96
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117136059
8-methoxy-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine
CID 117136142
8-bromo-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117136060
8-chloro-2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136192
(8-chloroimidazo[1,2-a]pyridin-2-yl)methanethiol
CID 117256709
8-chloro-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 117256638
N-[(8-chloroimidazo[1,2-a]pyridin-2-yl)methyl]cyclobutanamine
CID 117256627
8-chloro-2-propylimidazo[1,2-a]pyridine
CID 117137517
8-chloro-2-[2-(8-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]imidazo[1,2-a]pyridine
CID 72709703
8-chloro-2-[(4-chlorophenyl)methyl]imidazo[1,2-a]pyridine
CID 117137468
8-fluoro-2-(piperidin-4-ylmethyl)imidazo[1,2-a]pyridine
CID 105492803
7-methyl-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine
CID 117133889

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 8-chloro-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine (CID 117136187) is 8-chloro-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-chloro-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 8-chloro-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine is Clc1cccn2cc(CC3CCOCC3)nc12.
What is the InChIKey of 8-chloro-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is AEPHTXMHXGAWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c14-12-2-1-5-16-9-11(15-13(12)16)8-10-3-6-17-7-4-10/h1-2,5,9-10H,3-4,6-8H2.
What are the key properties of 8-chloro-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine?
8-chloro-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 250.73 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 117136187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).