3-(2-chloro-3-pyridinyl)-8-hydroxy-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide

C15H13ClF3N3O2 — CID 22012090

IUPAC3-(2-chloro-3-pyridinyl)-8-hydroxy-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)c(-c2cccnc2Cl)n2c1C(O)CCC2
InChIInChI=1S/C15H13ClF3N3O2/c16-13-7(3-1-5-21-13)11-10(15(17,18)19)9(14(20)24)12-8(23)4-2-6-22(11)12/h1,3,5,8,23H,2,4,6H2,(H2,20,24)
InChIKeyLMSSABIXQQVUBM-UHFFFAOYSA-N
MW359.74 g/mol
LogP3.15
Rot. Bonds2

About 3-(2-chloro-3-pyridinyl)-8-hydroxy-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide

3-(2-chloro-3-pyridinyl)-8-hydroxy-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide (PubChem CID 22012090) has the molecular formula C15H13ClF3N3O2 and a molecular weight of 359.74 g/mol. Its IUPAC name is 3-(2-chloro-3-pyridinyl)-8-hydroxy-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-3-pyridinyl)-8-hydroxy-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide
PubChem CID22012090
Molecular FormulaC15H13ClF3N3O2
Molecular Weight359.74 g/mol
Exact Mass359.06
IUPAC Name3-(2-chloro-3-pyridinyl)-8-hydroxy-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)c(-c2cccnc2Cl)n2c1C(O)CCC2
InChIInChI=1S/C15H13ClF3N3O2/c16-13-7(3-1-5-21-13)11-10(15(17,18)19)9(14(20)24)12-8(23)4-2-6-22(11)12/h1,3,5,8,23H,2,4,6H2,(H2,20,24)
InChIKeyLMSSABIXQQVUBM-UHFFFAOYSA-N
XLogP3.15
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 53.15
H-Bond Donors ≤ 52
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 3-(2-chloro-3-pyridinyl)-8-hydroxy-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The IUPAC name of 3-(2-chloro-3-pyridinyl)-8-hydroxy-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide (CID 22012090) is 3-(2-chloro-3-pyridinyl)-8-hydroxy-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide.
What is the SMILES notation for 3-(2-chloro-3-pyridinyl)-8-hydroxy-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The canonical SMILES for 3-(2-chloro-3-pyridinyl)-8-hydroxy-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide is NC(=O)c1c(C(F)(F)F)c(-c2cccnc2Cl)n2c1C(O)CCC2.
What is the InChIKey of 3-(2-chloro-3-pyridinyl)-8-hydroxy-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The InChIKey is LMSSABIXQQVUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O2/c16-13-7(3-1-5-21-13)11-10(15(17,18)19)9(14(20)24)12-8(23)4-2-6-22(11)12/h1,3,5,8,23H,2,4,6H2,(H2,20,24).
What are the key properties of 3-(2-chloro-3-pyridinyl)-8-hydroxy-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide?
3-(2-chloro-3-pyridinyl)-8-hydroxy-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide has a molecular weight of 359.74 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-pyridinyl)-8-hydroxy-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide is sourced from PubChem (CID 22012090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).