methyl 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate

C9H11ClN2O2 — CID 130909668

IUPACmethyl 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2n(c1Cl)CCCC2
InChIInChI=1S/C9H11ClN2O2/c1-14-9(13)7-8(10)12-5-3-2-4-6(12)11-7/h2-5H2,1H3
InChIKeyQOBOKWBNQWIJPD-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.66
Rot. Bonds1

About methyl 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate

methyl 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 130909668) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is methyl 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID130909668
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Namemethyl 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2n(c1Cl)CCCC2
InChIInChI=1S/C9H11ClN2O2/c1-14-9(13)7-8(10)12-5-3-2-4-6(12)11-7/h2-5H2,1H3
InChIKeyQOBOKWBNQWIJPD-UHFFFAOYSA-N
XLogP1.66
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethanone
CID 112545884
(3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanol
CID 84660796
2-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 84699046
methyl 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-6-carboxylate
CID 25157665
3-(methylamino)-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide;hydrochloride
CID 68640946
methyl 4-[(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzoate
CID 62937153
methyl 3-(3,4-dihydropyridin-2-yl)-6,7,9,10-tetrahydro-5H-imidazo[2,1-d][1,5]oxazocine-2-carboxylate
CID 166654882
methyl 5-methyl-2-[(4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 71707325
3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride
CID 84702385
3-bromo-2-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 84699047
(4-methoxycarbonylphenyl) 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate
CID 2648499
1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-(methylamino)ethanone
CID 112546236

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of methyl 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate (CID 130909668) is methyl 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate is COC(=O)c1nc2n(c1Cl)CCCC2.
What is the InChIKey of methyl 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is QOBOKWBNQWIJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-14-9(13)7-8(10)12-5-3-2-4-6(12)11-7/h2-5H2,1H3.
What are the key properties of methyl 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate?
methyl 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 214.65 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 130909668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).