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

C15H13ClN2O2 — CID 103869650

IUPAC2-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
SMILESO=C(N[C@H]1c2ccccc2C[C@H]1O)c1cccnc1Cl
InChIInChI=1S/C15H13ClN2O2/c16-14-11(6-3-7-17-14)15(20)18-13-10-5-2-1-4-9(10)8-12(13)19/h1-7,12-13,19H,8H2,(H,18,20)/t12-,13+/m1/s1
InChIKeyATYGOIRAZYBZTP-OLZOCXBDSA-N
MW288.73 g/mol
LogP2.12
Rot. Bonds2

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

2-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide (PubChem CID 103869650) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 2-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
PubChem CID103869650
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name2-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
SMILESO=C(N[C@H]1c2ccccc2C[C@H]1O)c1cccnc1Cl
InChIInChI=1S/C15H13ClN2O2/c16-14-11(6-3-7-17-14)15(20)18-13-10-5-2-1-4-9(10)8-12(13)19/h1-7,12-13,19H,8H2,(H,18,20)/t12-,13+/m1/s1
InChIKeyATYGOIRAZYBZTP-OLZOCXBDSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 107221728
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylpyridine-2-carboxamide
CID 62339488
2,3-difluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 103337662
5-chloro-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816845
2,3-difluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 62660008
5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide
CID 107258059
3-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 103863026
2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 106509864
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyrazol-1-ylbenzamide
CID 75470175
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylbenzamide
CID 103816856
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 61367776
2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide
CID 114302135

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide (CID 103869650) is 2-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide is O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide?
The InChIKey is ATYGOIRAZYBZTP-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-14-11(6-3-7-17-14)15(20)18-13-10-5-2-1-4-9(10)8-12(13)19/h1-7,12-13,19H,8H2,(H,18,20)/t12-,13+/m1/s1.
What are the key properties of 2-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide?
2-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-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 2-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 103869650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).