1-chloro-3-(2,2-dimethylpropyl)-8-methylimidazo[1,5-a]pyridine

C13H17ClN2 — CID 117252428

IUPAC1-chloro-3-(2,2-dimethylpropyl)-8-methylimidazo[1,5-a]pyridine
SMILESCc1cccn2c(CC(C)(C)C)nc(Cl)c12
InChIInChI=1S/C13H17ClN2/c1-9-6-5-7-16-10(8-13(2,3)4)15-12(14)11(9)16/h5-7H,8H2,1-4H3
InChIKeyYRNZCKKQVCKJCS-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.88
Rot. Bonds1

About 1-chloro-3-(2,2-dimethylpropyl)-8-methylimidazo[1,5-a]pyridine

1-chloro-3-(2,2-dimethylpropyl)-8-methylimidazo[1,5-a]pyridine (PubChem CID 117252428) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 1-chloro-3-(2,2-dimethylpropyl)-8-methylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-chloro-3-(2,2-dimethylpropyl)-8-methylimidazo[1,5-a]pyridine
PubChem CID117252428
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name1-chloro-3-(2,2-dimethylpropyl)-8-methylimidazo[1,5-a]pyridine
SMILESCc1cccn2c(CC(C)(C)C)nc(Cl)c12
InChIInChI=1S/C13H17ClN2/c1-9-6-5-7-16-10(8-13(2,3)4)15-12(14)11(9)16/h5-7H,8H2,1-4H3
InChIKeyYRNZCKKQVCKJCS-UHFFFAOYSA-N
XLogP3.88
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-8-methyl-3-pyridin-2-ylimidazo[1,5-a]pyridine
CID 117252375
1-chloro-8-methyl-3-pyridin-3-ylimidazo[1,5-a]pyridine
CID 117252364
1-chloro-8-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
CID 117252634
1-(1-chloro-8-methylimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine
CID 117254902
1-chloro-8-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
CID 117252517
1-chloro-8-methyl-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyridine
CID 117252276
1-chloro-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyridine
CID 117252272
1-chloro-3-(methylaminomethyl)imidazo[1,5-a]pyridin-8-amine
CID 117254865
(3,8-dimethylimidazo[1,5-a]pyridin-1-yl)methanamine
CID 83827526
1-chloro-2-(2,2-dimethylpropyl)-3-methylbenzene
CID 118259234
3-(aminomethyl)-8-methylimidazo[1,5-a]pyridine-1-carbonitrile
CID 84739593
3,8-dimethylimidazo[1,5-a]pyridine-1-sulfonyl chloride
CID 112552052

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2,2-dimethylpropyl)-8-methylimidazo[1,5-a]pyridine?
The IUPAC name of 1-chloro-3-(2,2-dimethylpropyl)-8-methylimidazo[1,5-a]pyridine (CID 117252428) is 1-chloro-3-(2,2-dimethylpropyl)-8-methylimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-chloro-3-(2,2-dimethylpropyl)-8-methylimidazo[1,5-a]pyridine?
The canonical SMILES for 1-chloro-3-(2,2-dimethylpropyl)-8-methylimidazo[1,5-a]pyridine is Cc1cccn2c(CC(C)(C)C)nc(Cl)c12.
What is the InChIKey of 1-chloro-3-(2,2-dimethylpropyl)-8-methylimidazo[1,5-a]pyridine?
The InChIKey is YRNZCKKQVCKJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-9-6-5-7-16-10(8-13(2,3)4)15-12(14)11(9)16/h5-7H,8H2,1-4H3.
What are the key properties of 1-chloro-3-(2,2-dimethylpropyl)-8-methylimidazo[1,5-a]pyridine?
1-chloro-3-(2,2-dimethylpropyl)-8-methylimidazo[1,5-a]pyridine has a molecular weight of 236.75 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2,2-dimethylpropyl)-8-methylimidazo[1,5-a]pyridine is sourced from PubChem (CID 117252428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).