methyl 2-chloro-3-(2-chloro-3-pyridinyl)-5,6-dihydroindolizine-1-carboxylate

C15H12Cl2N2O2 — CID 22012091

IUPACmethyl 2-chloro-3-(2-chloro-3-pyridinyl)-5,6-dihydroindolizine-1-carboxylate
SMILESCOC(=O)c1c(Cl)c(-c2cccnc2Cl)n2c1C=CCC2
InChIInChI=1S/C15H12Cl2N2O2/c1-21-15(20)11-10-6-2-3-8-19(10)13(12(11)16)9-5-4-7-18-14(9)17/h2,4-7H,3,8H2,1H3
InChIKeyKLZFNOZLOUAQGR-UHFFFAOYSA-N
MW323.18 g/mol
LogP4.06
Rot. Bonds2

About methyl 2-chloro-3-(2-chloro-3-pyridinyl)-5,6-dihydroindolizine-1-carboxylate

methyl 2-chloro-3-(2-chloro-3-pyridinyl)-5,6-dihydroindolizine-1-carboxylate (PubChem CID 22012091) has the molecular formula C15H12Cl2N2O2 and a molecular weight of 323.18 g/mol. Its IUPAC name is methyl 2-chloro-3-(2-chloro-3-pyridinyl)-5,6-dihydroindolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-3-(2-chloro-3-pyridinyl)-5,6-dihydroindolizine-1-carboxylate
PubChem CID22012091
Molecular FormulaC15H12Cl2N2O2
Molecular Weight323.18 g/mol
Exact Mass322.03
IUPAC Namemethyl 2-chloro-3-(2-chloro-3-pyridinyl)-5,6-dihydroindolizine-1-carboxylate
SMILESCOC(=O)c1c(Cl)c(-c2cccnc2Cl)n2c1C=CCC2
InChIInChI=1S/C15H12Cl2N2O2/c1-21-15(20)11-10-6-2-3-8-19(10)13(12(11)16)9-5-4-7-18-14(9)17/h2,4-7H,3,8H2,1H3
InChIKeyKLZFNOZLOUAQGR-UHFFFAOYSA-N
XLogP4.06
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-(2-chloro-3-pyridinyl)-5,6-dihydroindolizine-1-carboxylate?
The IUPAC name of methyl 2-chloro-3-(2-chloro-3-pyridinyl)-5,6-dihydroindolizine-1-carboxylate (CID 22012091) is methyl 2-chloro-3-(2-chloro-3-pyridinyl)-5,6-dihydroindolizine-1-carboxylate.
What is the SMILES notation for methyl 2-chloro-3-(2-chloro-3-pyridinyl)-5,6-dihydroindolizine-1-carboxylate?
The canonical SMILES for methyl 2-chloro-3-(2-chloro-3-pyridinyl)-5,6-dihydroindolizine-1-carboxylate is COC(=O)c1c(Cl)c(-c2cccnc2Cl)n2c1C=CCC2.
What is the InChIKey of methyl 2-chloro-3-(2-chloro-3-pyridinyl)-5,6-dihydroindolizine-1-carboxylate?
The InChIKey is KLZFNOZLOUAQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2/c1-21-15(20)11-10-6-2-3-8-19(10)13(12(11)16)9-5-4-7-18-14(9)17/h2,4-7H,3,8H2,1H3.
What are the key properties of methyl 2-chloro-3-(2-chloro-3-pyridinyl)-5,6-dihydroindolizine-1-carboxylate?
methyl 2-chloro-3-(2-chloro-3-pyridinyl)-5,6-dihydroindolizine-1-carboxylate has a molecular weight of 323.18 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-3-(2-chloro-3-pyridinyl)-5,6-dihydroindolizine-1-carboxylate is sourced from PubChem (CID 22012091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).