methyl 2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate

C16H17ClN2O3 — CID 22012037

IUPACmethyl 2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate
SMILESCOC(=O)c1c(Cl)c(-c2cccnc2)n2c1C(OC)CCC2
InChIInChI=1S/C16H17ClN2O3/c1-21-11-6-4-8-19-14(10-5-3-7-18-9-10)13(17)12(15(11)19)16(20)22-2/h3,5,7,9,11H,4,6,8H2,1-2H3
InChIKeyQKDXRHHMQDUIBY-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.47
Rot. Bonds3

About methyl 2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate

methyl 2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate (PubChem CID 22012037) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is methyl 2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate
PubChem CID22012037
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Namemethyl 2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate
SMILESCOC(=O)c1c(Cl)c(-c2cccnc2)n2c1C(OC)CCC2
InChIInChI=1S/C16H17ClN2O3/c1-21-11-6-4-8-19-14(10-5-3-7-18-9-10)13(17)12(15(11)19)16(20)22-2/h3,5,7,9,11H,4,6,8H2,1-2H3
InChIKeyQKDXRHHMQDUIBY-UHFFFAOYSA-N
XLogP3.47
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate with MolForge

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Related Compounds

2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylic acid
CID 70347528
methyl 8-hydroxy-2-methyl-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate
CID 22012067
2-(2-chloro-8-hydroxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizin-1-yl)acetamide
CID 139887090
2-chloro-8-hydroxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
CID 22012021
methyl 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117249810
2-chloro-8-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indolizine-1-carboxamide
CID 15406817
methyl 4-chloro-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate
CID 91672501
8-amino-2-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
CID 22012144
7-chloro-2-N-(oxan-4-yl)-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
CID 58761884
methyl 2,3,5,6-tetrafluoro-4-pyridin-3-ylbenzoate
CID 46317647
8-carbamoyl-7-chloro-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid
CID 141064669
ethyl 4-[(8-carbamoyl-7-chloro-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]benzoate
CID 58761873

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate?
The IUPAC name of methyl 2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate (CID 22012037) is methyl 2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate.
What is the SMILES notation for methyl 2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate?
The canonical SMILES for methyl 2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate is COC(=O)c1c(Cl)c(-c2cccnc2)n2c1C(OC)CCC2.
What is the InChIKey of methyl 2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate?
The InChIKey is QKDXRHHMQDUIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-21-11-6-4-8-19-14(10-5-3-7-18-9-10)13(17)12(15(11)19)16(20)22-2/h3,5,7,9,11H,4,6,8H2,1-2H3.
What are the key properties of methyl 2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate?
methyl 2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate has a molecular weight of 320.78 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate is sourced from PubChem (CID 22012037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).