5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide

C15H13ClN2O2 — CID 75392161

IUPAC5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
SMILESO=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccc(Cl)cn1
InChIInChI=1S/C15H13ClN2O2/c16-10-5-6-12(17-8-10)15(20)18-14-11-4-2-1-3-9(11)7-13(14)19/h1-6,8,13-14,19H,7H2,(H,18,20)/t13-,14+/m1/s1
InChIKeyATYISCHNBFISEJ-KGLIPLIRSA-N
MW288.73 g/mol
LogP2.12
Rot. Bonds2

About 5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide

5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide (PubChem CID 75392161) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
PubChem CID75392161
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
SMILESO=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccc(Cl)cn1
InChIInChI=1S/C15H13ClN2O2/c16-10-5-6-12(17-8-10)15(20)18-14-11-4-2-1-3-9(11)7-13(14)19/h1-6,8,13-14,19H,7H2,(H,18,20)/t13-,14+/m1/s1
InChIKeyATYISCHNBFISEJ-KGLIPLIRSA-N
XLogP2.12
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide (CID 75392161) is 5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide is O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?
The InChIKey is ATYISCHNBFISEJ-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-10-5-6-12(17-8-10)15(20)18-14-11-4-2-1-3-9(11)7-13(14)19/h1-6,8,13-14,19H,7H2,(H,18,20)/t13-,14+/m1/s1.
What are the key properties of 5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?
5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide has a molecular weight of 288.73 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 75392161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).