3-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid

C9H5N3O2 — CID 22335044

IUPAC3-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESN#Cc1c(C(=O)O)nc2ccccn12
InChIInChI=1S/C9H5N3O2/c10-5-6-8(9(13)14)11-7-3-1-2-4-12(6)7/h1-4H,(H,13,14)
InChIKeyADWPSGZKBJGPGD-UHFFFAOYSA-N
MW187.16 g/mol
LogP0.90
Rot. Bonds1

About 3-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid

3-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 22335044) has the molecular formula C9H5N3O2 and a molecular weight of 187.16 g/mol. Its IUPAC name is 3-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID22335044
Molecular FormulaC9H5N3O2
Molecular Weight187.16 g/mol
Exact Mass187.04
IUPAC Name3-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESN#Cc1c(C(=O)O)nc2ccccn12
InChIInChI=1S/C9H5N3O2/c10-5-6-8(9(13)14)11-7-3-1-2-4-12(6)7/h1-4H,(H,13,14)
InChIKeyADWPSGZKBJGPGD-UHFFFAOYSA-N
XLogP0.90
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride
CID 140866988
3-[(3-cyanophenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82355476
3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121627
3-ethyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 22308053
N-benzyl-3-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]propanamide
CID 75501853
3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 142784458
1-(3-cyanoimidazo[1,2-a]pyridin-2-yl)-3-ethylpiperidine-3-carboxylic acid
CID 167912108
3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121604
1-(3-methylimidazo[1,2-a]pyridin-2-yl)ethanone
CID 84654901
2-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]-N-prop-2-enylacetamide
CID 133463556
3-[(2,6-dimethylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82355477
3-bromoimidazo[1,2-a]pyridine-2-carboxamide
CID 154211458

Frequently Asked Questions

What is the IUPAC name of 3-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid (CID 22335044) is 3-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid is N#Cc1c(C(=O)O)nc2ccccn12.
What is the InChIKey of 3-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is ADWPSGZKBJGPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O2/c10-5-6-8(9(13)14)11-7-3-1-2-4-12(6)7/h1-4H,(H,13,14).
What are the key properties of 3-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid?
3-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 187.16 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 22335044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).