8-chloro-3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid

C11H11ClN2O2 — CID 82529112

IUPAC8-chloro-3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC(C)c1c(C(=O)O)nc2c(Cl)cccn12
InChIInChI=1S/C11H11ClN2O2/c1-6(2)9-8(11(15)16)13-10-7(12)4-3-5-14(9)10/h3-6H,1-2H3,(H,15,16)
InChIKeyVTNMUGPKSOCYCA-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.81
Rot. Bonds2

About 8-chloro-3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid

8-chloro-3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 82529112) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 8-chloro-3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name8-chloro-3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID82529112
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name8-chloro-3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC(C)c1c(C(=O)O)nc2c(Cl)cccn12
InChIInChI=1S/C11H11ClN2O2/c1-6(2)9-8(11(15)16)13-10-7(12)4-3-5-14(9)10/h3-6H,1-2H3,(H,15,16)
InChIKeyVTNMUGPKSOCYCA-UHFFFAOYSA-N
XLogP2.81
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminopropyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254982
2-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)propan-1-amine
CID 83891491
3-(2-carboxyethyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255108
8-chloro-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 82529717
3-[(8-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid
CID 82529336
8-chloro-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255040
3-nitroso-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 82356546
1-[8-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-ol
CID 82529565
3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 142784458
8-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254530
3-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82063206
1-(8-chloroimidazo[1,2-a]pyridin-3-yl)propan-2-one
CID 83884133

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 8-chloro-3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid (CID 82529112) is 8-chloro-3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 8-chloro-3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 8-chloro-3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid is CC(C)c1c(C(=O)O)nc2c(Cl)cccn12.
What is the InChIKey of 8-chloro-3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is VTNMUGPKSOCYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-6(2)9-8(11(15)16)13-10-7(12)4-3-5-14(9)10/h3-6H,1-2H3,(H,15,16).
What are the key properties of 8-chloro-3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid?
8-chloro-3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 238.67 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 82529112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).