6-chloro-8-methyl-2-pentan-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid

C14H17ClN2O2 — CID 82531008

IUPAC6-chloro-8-methyl-2-pentan-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCC(CC)c1nc2c(C)cc(Cl)cn2c1C(=O)O
InChIInChI=1S/C14H17ClN2O2/c1-4-9(5-2)11-12(14(18)19)17-7-10(15)6-8(3)13(17)16-11/h6-7,9H,4-5H2,1-3H3,(H,18,19)
InChIKeySWGLWKNBSWWKSC-UHFFFAOYSA-N
MW280.75 g/mol
LogP3.90
Rot. Bonds4

About 6-chloro-8-methyl-2-pentan-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid

6-chloro-8-methyl-2-pentan-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 82531008) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 6-chloro-8-methyl-2-pentan-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-8-methyl-2-pentan-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID82531008
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name6-chloro-8-methyl-2-pentan-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCC(CC)c1nc2c(C)cc(Cl)cn2c1C(=O)O
InChIInChI=1S/C14H17ClN2O2/c1-4-9(5-2)11-12(14(18)19)17-7-10(15)6-8(3)13(17)16-11/h6-7,9H,4-5H2,1-3H3,(H,18,19)
InChIKeySWGLWKNBSWWKSC-UHFFFAOYSA-N
XLogP3.90
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82531004
1-(6-chloro-8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-ol
CID 82531093
ethyl 8-bromo-6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 154814169
6-chloro-3-ethyl-2,8-dimethylimidazo[1,2-a]pyridine
CID 126985620
(6-chloro-2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methanol
CID 82531125
ethyl 2-(6-chloro-8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
CID 165351332
8-chloro-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82473381
2,6-dimethyl-8-(2-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 141406543
(6-chloro-8-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methanol
CID 82531122
2-butan-2-yl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 115405211
1-(6-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)ethanone
CID 130603882
6-bromo-2-cyclopropyl-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 83170033

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methyl-2-pentan-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-8-methyl-2-pentan-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 82531008) is 6-chloro-8-methyl-2-pentan-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-8-methyl-2-pentan-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-8-methyl-2-pentan-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid is CCC(CC)c1nc2c(C)cc(Cl)cn2c1C(=O)O.
What is the InChIKey of 6-chloro-8-methyl-2-pentan-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is SWGLWKNBSWWKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-4-9(5-2)11-12(14(18)19)17-7-10(15)6-8(3)13(17)16-11/h6-7,9H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 6-chloro-8-methyl-2-pentan-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid?
6-chloro-8-methyl-2-pentan-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 280.75 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-methyl-2-pentan-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 82531008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).