7-methoxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid

C9H12N2O3 — CID 126838155

IUPAC7-methoxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCOC1CCn2cc(C(=O)O)nc2C1
InChIInChI=1S/C9H12N2O3/c1-14-6-2-3-11-5-7(9(12)13)10-8(11)4-6/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyBTPPJYYSYCBHNS-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.54
Rot. Bonds2

About 7-methoxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid

7-methoxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 126838155) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 7-methoxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID126838155
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name7-methoxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCOC1CCn2cc(C(=O)O)nc2C1
InChIInChI=1S/C9H12N2O3/c1-14-6-2-3-11-5-7(9(12)13)10-8(11)4-6/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyBTPPJYYSYCBHNS-UHFFFAOYSA-N
XLogP0.54
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl imidazo[1,2-a]pyrazine-2-carboxylate
CID 11845418
1-methyl-1H-imidazole-4-carboxylic acid
CID 541509
1-methyl-1H-imidazole-5-carboxylic acid
CID 2773507
Imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 12674617
(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid
CID 11241999
ethyl 5H,6H,7H,8H-imidazo[1,2-a]pyridine-2-carboxylate
CID 12745958
1-Ethylimidazole-4-carboxylic acid
CID 15047453
1,2-Dimethyl-1H-imidazole-5-carboxylic acid
CID 23361873
7-(1,1-Dimethylethyl) 5,6-dihydroimidazo(1,2-a)pyrazine-2,7(8H)-dicarboxylate
CID 44558548
1-Propyl-1H-imidazole-5-carboxylic acid
CID 45082087
Imidazo(1,2-a)pyrazine-8-carboxylic acid
CID 53626253
2-(methoxymethyl)-1-methyl-1H-imidazole-5-carboxylic acid
CID 58592592

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 7-methoxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid (CID 126838155) is 7-methoxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-methoxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 7-methoxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid is COC1CCn2cc(C(=O)O)nc2C1.
What is the InChIKey of 7-methoxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is BTPPJYYSYCBHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-14-6-2-3-11-5-7(9(12)13)10-8(11)4-6/h5-6H,2-4H2,1H3,(H,12,13).
What are the key properties of 7-methoxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid?
7-methoxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 126838155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).