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

C14H13ClFN3O2 — CID 22012108

IUPAC2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESNC(=O)c1c(Cl)c(-c2cccnc2F)n2c1C(O)CCC2
InChIInChI=1S/C14H13ClFN3O2/c15-10-9(14(17)21)12-8(20)4-2-6-19(12)11(10)7-3-1-5-18-13(7)16/h1,3,5,8,20H,2,4,6H2,(H2,17,21)
InChIKeyJQNKWIXZVDLMAC-UHFFFAOYSA-N
MW309.73 g/mol
LogP2.27
Rot. Bonds2

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

2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carboxamide (PubChem CID 22012108) has the molecular formula C14H13ClFN3O2 and a molecular weight of 309.73 g/mol. Its IUPAC name is 2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carboxamide.

Molecular Properties

Compound Name2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carboxamide
PubChem CID22012108
Molecular FormulaC14H13ClFN3O2
Molecular Weight309.73 g/mol
Exact Mass309.07
IUPAC Name2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESNC(=O)c1c(Cl)c(-c2cccnc2F)n2c1C(O)CCC2
InChIInChI=1S/C14H13ClFN3O2/c15-10-9(14(17)21)12-8(20)4-2-6-19(12)11(10)7-3-1-5-18-13(7)16/h1,3,5,8,20H,2,4,6H2,(H2,17,21)
InChIKeyJQNKWIXZVDLMAC-UHFFFAOYSA-N
XLogP2.27
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 52.27
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 2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The IUPAC name of 2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carboxamide (CID 22012108) is 2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carboxamide.
What is the SMILES notation for 2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The canonical SMILES for 2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carboxamide is NC(=O)c1c(Cl)c(-c2cccnc2F)n2c1C(O)CCC2.
What is the InChIKey of 2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The InChIKey is JQNKWIXZVDLMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O2/c15-10-9(14(17)21)12-8(20)4-2-6-19(12)11(10)7-3-1-5-18-13(7)16/h1,3,5,8,20H,2,4,6H2,(H2,17,21).
What are the key properties of 2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carboxamide?
2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carboxamide has a molecular weight of 309.73 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carboxamide is sourced from PubChem (CID 22012108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).