4-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)benzoic acid

C16H14N2O2 — CID 82063350

IUPAC4-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)benzoic acid
SMILESCc1cn2cc(-c3ccc(C(=O)O)cc3)cc(C)c2n1
InChIInChI=1S/C16H14N2O2/c1-10-7-14(9-18-8-11(2)17-15(10)18)12-3-5-13(6-4-12)16(19)20/h3-9H,1-2H3,(H,19,20)
InChIKeyNJFSULXXXXRHOZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.32
Rot. Bonds2

About 4-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)benzoic acid

4-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)benzoic acid (PubChem CID 82063350) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)benzoic acid.

Molecular Properties

Compound Name4-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)benzoic acid
PubChem CID82063350
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)benzoic acid
SMILESCc1cn2cc(-c3ccc(C(=O)O)cc3)cc(C)c2n1
InChIInChI=1S/C16H14N2O2/c1-10-7-14(9-18-8-11(2)17-15(10)18)12-3-5-13(6-4-12)16(19)20/h3-9H,1-2H3,(H,19,20)
InChIKeyNJFSULXXXXRHOZ-UHFFFAOYSA-N
XLogP3.32
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-6-yl)benzoic acid
CID 93211518
2,8-dimethylimidazo[1,2-a]pyridine-6-carboxylic acid
CID 83967374
4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzoic acid
CID 164581256
1-[3-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-(methylamino)ethanol;2,2,2-trifluoroacetic acid
CID 167799951
4-(4-hydroxy-3-methylphenyl)benzoic acid
CID 15389812
4-(4-amino-3-methylphenyl)benzoic acid
CID 23005198
4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylphenyl]benzoic acid
CID 162757301
4-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)benzoic acid
CID 82063352
4-(3-methyl-1,2-thiazol-5-yl)benzoic acid
CID 82615707
4-[4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]phenyl]piperazine-1-carboxylic acid
CID 175411485
cobalt;methane;4-methylbenzoic acid;terephthalic acid;1,4-xylene
CID 158793119
tert-butyl 4-[5-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-fluoroindazol-2-yl]piperidine-1-carboxylate
CID 168902369

Frequently Asked Questions

What is the IUPAC name of 4-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)benzoic acid?
The IUPAC name of 4-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)benzoic acid (CID 82063350) is 4-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)benzoic acid.
What is the SMILES notation for 4-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)benzoic acid?
The canonical SMILES for 4-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)benzoic acid is Cc1cn2cc(-c3ccc(C(=O)O)cc3)cc(C)c2n1.
What is the InChIKey of 4-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)benzoic acid?
The InChIKey is NJFSULXXXXRHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-7-14(9-18-8-11(2)17-15(10)18)12-3-5-13(6-4-12)16(19)20/h3-9H,1-2H3,(H,19,20).
What are the key properties of 4-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)benzoic acid?
4-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)benzoic acid has a molecular weight of 266.30 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)benzoic acid is sourced from PubChem (CID 82063350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).