2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylic acid

C15H15ClN2O3 — CID 70347528

IUPAC2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylic acid
SMILESCOC1CCCn2c(-c3cccnc3)c(Cl)c(C(=O)O)c21
InChIInChI=1S/C15H15ClN2O3/c1-21-10-5-3-7-18-13(9-4-2-6-17-8-9)12(16)11(14(10)18)15(19)20/h2,4,6,8,10H,3,5,7H2,1H3,(H,19,20)
InChIKeyJRMWXGKCECETHC-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.38
Rot. Bonds3

About 2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylic acid

2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylic acid (PubChem CID 70347528) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylic acid.

Molecular Properties

Compound Name2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylic acid
PubChem CID70347528
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylic acid
SMILESCOC1CCCn2c(-c3cccnc3)c(Cl)c(C(=O)O)c21
InChIInChI=1S/C15H15ClN2O3/c1-21-10-5-3-7-18-13(9-4-2-6-17-8-9)12(16)11(14(10)18)15(19)20/h2,4,6,8,10H,3,5,7H2,1H3,(H,19,20)
InChIKeyJRMWXGKCECETHC-UHFFFAOYSA-N
XLogP3.38
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

methyl 2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate
CID 22012037
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
2-chloro-8-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indolizine-1-carboxamide
CID 15406817
8-amino-2-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
CID 22012144
methyl 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117249810
8-carbamoyl-7-chloro-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid
CID 141064669
7-chloro-6-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid
CID 68890970
methyl 4-chloro-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate
CID 91672501
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
1-(3-chlorophenyl)-3-methyl-5-pyridin-3-ylpyrazole-4-carboxylic acid
CID 82072886

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylic acid?
The IUPAC name of 2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylic acid (CID 70347528) is 2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylic acid.
What is the SMILES notation for 2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylic acid?
The canonical SMILES for 2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylic acid is COC1CCCn2c(-c3cccnc3)c(Cl)c(C(=O)O)c21.
What is the InChIKey of 2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylic acid?
The InChIKey is JRMWXGKCECETHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-21-10-5-3-7-18-13(9-4-2-6-17-8-9)12(16)11(14(10)18)15(19)20/h2,4,6,8,10H,3,5,7H2,1H3,(H,19,20).
What are the key properties of 2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylic acid?
2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylic acid has a molecular weight of 306.75 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylic acid is sourced from PubChem (CID 70347528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).