(1R,2S)-1-[(5-bromo-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol

C14H13BrN2O — CID 71982317

IUPAC(1R,2S)-1-[(5-bromo-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol
SMILESO[C@H]1Cc2ccccc2[C@H]1Nc1ccc(Br)cn1
InChIInChI=1S/C14H13BrN2O/c15-10-5-6-13(16-8-10)17-14-11-4-2-1-3-9(11)7-12(14)18/h1-6,8,12,14,18H,7H2,(H,16,17)/t12-,14+/m0/s1
InChIKeyLOLDSDXRKJWNSO-GXTWGEPZSA-N
MW305.18 g/mol
LogP2.91
Rot. Bonds2

About (1R,2S)-1-[(5-bromo-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol

(1R,2S)-1-[(5-bromo-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 71982317) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is (1R,2S)-1-[(5-bromo-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-[(5-bromo-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol
PubChem CID71982317
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name(1R,2S)-1-[(5-bromo-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol
SMILESO[C@H]1Cc2ccccc2[C@H]1Nc1ccc(Br)cn1
InChIInChI=1S/C14H13BrN2O/c15-10-5-6-13(16-8-10)17-14-11-4-2-1-3-9(11)7-12(14)18/h1-6,8,12,14,18H,7H2,(H,16,17)/t12-,14+/m0/s1
InChIKeyLOLDSDXRKJWNSO-GXTWGEPZSA-N
XLogP2.91
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,2S)-1-[(5-bromo-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol with MolForge

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Related Compounds

(1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 58583415
(1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol
CID 133447996
5-bromo-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridin-2-amine
CID 169260360
6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133448107
2,4-dibromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103883197
(1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol
CID 146535071
methyl 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxypyridine-3-carboxylate
CID 133490320
(1S,2R)-1-[(2,6-dimethylpyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 133447953
6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile
CID 100899920
5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 65311609
4-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidine-2-carbonitrile
CID 166335295
1-[(5,6-dimethylpyridazin-3-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 133489747

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[(5-bromo-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2S)-1-[(5-bromo-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol (CID 71982317) is (1R,2S)-1-[(5-bromo-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2S)-1-[(5-bromo-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2S)-1-[(5-bromo-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol is O[C@H]1Cc2ccccc2[C@H]1Nc1ccc(Br)cn1.
What is the InChIKey of (1R,2S)-1-[(5-bromo-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is LOLDSDXRKJWNSO-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H13BrN2O/c15-10-5-6-13(16-8-10)17-14-11-4-2-1-3-9(11)7-12(14)18/h1-6,8,12,14,18H,7H2,(H,16,17)/t12-,14+/m0/s1.
What are the key properties of (1R,2S)-1-[(5-bromo-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol?
(1R,2S)-1-[(5-bromo-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 305.18 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[(5-bromo-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 71982317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).