3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide

C15H12ClFN2O — CID 140712230

About 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide

3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide (PubChem CID 140712230) has the molecular formula C15H12ClFN2O and a molecular weight of 290.73 g/mol. Its IUPAC name is 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
• PubChem CID: 140712230
• Molecular Formula: C15H12ClFN2O
• Molecular Weight: 290.73 g/mol
• Exact Mass: 290.06
• IUPAC Name: 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
• SMILES: NC(=O)c1ncccc1[C@@H]1CCc2c(F)cc(Cl)cc21
• InChI: InChI=1S/C15H12ClFN2O/c16-8-6-12-9(3-4-10(12)13(17)7-8)11-2-1-5-19-14(11)15(18)20/h1-2,5-7,9H,3-4H2,(H2,18,20)/t9-/m0/s1
• InChIKey: GFRFFORDOIHTHT-VIFPVBQESA-N
• XLogP: 3.05
• TPSA: 55.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.73
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?

The IUPAC name of 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide (CID 140712230) is 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide.

What is the SMILES notation for 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?

The canonical SMILES for 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide is NC(=O)c1ncccc1[C@@H]1CCc2c(F)cc(Cl)cc21.

What is the InChIKey of 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?

The InChIKey is GFRFFORDOIHTHT-VIFPVBQESA-N. The full InChI is InChI=1S/C15H12ClFN2O/c16-8-6-12-9(3-4-10(12)13(17)7-8)11-2-1-5-19-14(11)15(18)20/h1-2,5-7,9H,3-4H2,(H2,18,20)/t9-/m0/s1.

What are the key properties of 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?

3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide has a molecular weight of 290.73 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 140712230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).