methyl 1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate

C9H12N2O2 — CID 68793889

IUPACmethyl 1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)C1CN2CC=CC=C2N1
InChIInChI=1S/C9H12N2O2/c1-13-9(12)7-6-11-5-3-2-4-8(11)10-7/h2-4,7,10H,5-6H2,1H3
InChIKeyLGTAPQRZIQFUEK-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.16
Rot. Bonds1

About methyl 1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate

methyl 1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 68793889) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is methyl 1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID68793889
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Namemethyl 1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)C1CN2CC=CC=C2N1
InChIInChI=1S/C9H12N2O2/c1-13-9(12)7-6-11-5-3-2-4-8(11)10-7/h2-4,7,10H,5-6H2,1H3
InChIKeyLGTAPQRZIQFUEK-UHFFFAOYSA-N
XLogP-0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate with MolForge

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Related Compounds

1,2,3,5-Tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride
CID 141214757
1,2,3,5-Tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid
CID 141214758
1,2,3,5-Tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 142533422
Ethyl 1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
CID 154037198
ethyl (2R,8aS)-5-amino-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
CID 124225070
ethyl (2S,8aS)-5-amino-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
CID 124225071
ethyl (2S,8aR)-5-amino-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
CID 124225072
ethyl (2R,8aR)-5-amino-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
CID 124225073
ethyl (2R)-6-iodo-1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
CID 124225113
ethyl (2S)-6-iodo-1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
CID 124225114
Methyl 2-methyl-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate
CID 172431765

Frequently Asked Questions

What is the IUPAC name of methyl 1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of methyl 1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate (CID 68793889) is methyl 1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for methyl 1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for methyl 1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate is COC(=O)C1CN2CC=CC=C2N1.
What is the InChIKey of methyl 1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is LGTAPQRZIQFUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-13-9(12)7-6-11-5-3-2-4-8(11)10-7/h2-4,7,10H,5-6H2,1H3.
What are the key properties of methyl 1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate?
methyl 1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 180.21 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 68793889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).