(1S,2R)-1-[(3-fluoro-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol

C14H13FN2O — CID 118740642

IUPAC(1S,2R)-1-[(3-fluoro-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol
SMILESO[C@@H]1Cc2ccccc2[C@@H]1Nc1ncccc1F
InChIInChI=1S/C14H13FN2O/c15-11-6-3-7-16-14(11)17-13-10-5-2-1-4-9(10)8-12(13)18/h1-7,12-13,18H,8H2,(H,16,17)/t12-,13+/m1/s1
InChIKeyRXNWAYJXGHPLKD-OLZOCXBDSA-N
MW244.27 g/mol
LogP2.29
Rot. Bonds2

About (1S,2R)-1-[(3-fluoro-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol

(1S,2R)-1-[(3-fluoro-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 118740642) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is (1S,2R)-1-[(3-fluoro-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-[(3-fluoro-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol
PubChem CID118740642
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name(1S,2R)-1-[(3-fluoro-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol
SMILESO[C@@H]1Cc2ccccc2[C@@H]1Nc1ncccc1F
InChIInChI=1S/C14H13FN2O/c15-11-6-3-7-16-14(11)17-13-10-5-2-1-4-9(10)8-12(13)18/h1-7,12-13,18H,8H2,(H,16,17)/t12-,13+/m1/s1
InChIKeyRXNWAYJXGHPLKD-OLZOCXBDSA-N
XLogP2.29
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-[(3-fluoro-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1S,2R)-1-[(3-fluoro-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol (CID 118740642) is (1S,2R)-1-[(3-fluoro-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1S,2R)-1-[(3-fluoro-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1S,2R)-1-[(3-fluoro-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol is O[C@@H]1Cc2ccccc2[C@@H]1Nc1ncccc1F.
What is the InChIKey of (1S,2R)-1-[(3-fluoro-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is RXNWAYJXGHPLKD-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H13FN2O/c15-11-6-3-7-16-14(11)17-13-10-5-2-1-4-9(10)8-12(13)18/h1-7,12-13,18H,8H2,(H,16,17)/t12-,13+/m1/s1.
What are the key properties of (1S,2R)-1-[(3-fluoro-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol?
(1S,2R)-1-[(3-fluoro-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 244.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-[(3-fluoro-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 118740642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).