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

C15H12ClFN2O — CID 140712230

IUPAC3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
SMILESNC(=O)c1ncccc1[C@@H]1CCc2c(F)cc(Cl)cc21
InChIInChI=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
InChIKeyGFRFFORDOIHTHT-VIFPVBQESA-N
MW290.73 g/mol
LogP3.05
Rot. Bonds2

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 Name3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
PubChem CID140712230
Molecular FormulaC15H12ClFN2O
Molecular Weight290.73 g/mol
Exact Mass290.06
IUPAC Name3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
SMILESNC(=O)c1ncccc1[C@@H]1CCc2c(F)cc(Cl)cc21
InChIInChI=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
InChIKeyGFRFFORDOIHTHT-VIFPVBQESA-N
XLogP3.05
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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).