trans-(1S,2S)-2-[(5-bromo-2-pyridinyl)amino]cyclohexan-1-ol

C11H15BrN2O — CID 119031585

IUPACtrans-(1S,2S)-2-[(5-bromo-2-pyridinyl)amino]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Nc1ccc(Br)cn1
InChIInChI=1S/C11H15BrN2O/c12-8-5-6-11(13-7-8)14-9-3-1-2-4-10(9)15/h5-7,9-10,15H,1-4H2,(H,13,14)/t9-,10-/m0/s1
InChIKeyKHEXWUJOTNAYID-UWVGGRQHSA-N
MW271.16 g/mol
LogP2.56
Rot. Bonds2

About trans-(1S,2S)-2-[(5-bromo-2-pyridinyl)amino]cyclohexan-1-ol

trans-(1S,2S)-2-[(5-bromo-2-pyridinyl)amino]cyclohexan-1-ol (PubChem CID 119031585) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(5-bromo-2-pyridinyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(5-bromo-2-pyridinyl)amino]cyclohexan-1-ol
PubChem CID119031585
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Nametrans-(1S,2S)-2-[(5-bromo-2-pyridinyl)amino]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Nc1ccc(Br)cn1
InChIInChI=1S/C11H15BrN2O/c12-8-5-6-11(13-7-8)14-9-3-1-2-4-10(9)15/h5-7,9-10,15H,1-4H2,(H,13,14)/t9-,10-/m0/s1
InChIKeyKHEXWUJOTNAYID-UWVGGRQHSA-N
XLogP2.56
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-N-(5-bromo-2-pyridinyl)cyclohexane-1,2-diamine
CID 93453964
5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]pyridin-2-amine
CID 131052459
6-[(2-hydroxycyclohexyl)amino]pyridine-3-carboxamide
CID 79033721
2-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol
CID 79827031
2-(pyrazin-2-ylamino)cyclohexan-1-ol
CID 62361109
5-bromo-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide
CID 94415434
2-amino-5-bromo-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
CID 62359305
4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 27109566
4-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 3294155
4-[(5-bromo-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 118092598
6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133495372
5-bromo-N-(2-chlorocycloheptyl)pyridine-2-carboxamide
CID 113395079

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(5-bromo-2-pyridinyl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(5-bromo-2-pyridinyl)amino]cyclohexan-1-ol (CID 119031585) is trans-(1S,2S)-2-[(5-bromo-2-pyridinyl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(5-bromo-2-pyridinyl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(5-bromo-2-pyridinyl)amino]cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1Nc1ccc(Br)cn1.
What is the InChIKey of trans-(1S,2S)-2-[(5-bromo-2-pyridinyl)amino]cyclohexan-1-ol?
The InChIKey is KHEXWUJOTNAYID-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H15BrN2O/c12-8-5-6-11(13-7-8)14-9-3-1-2-4-10(9)15/h5-7,9-10,15H,1-4H2,(H,13,14)/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(5-bromo-2-pyridinyl)amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[(5-bromo-2-pyridinyl)amino]cyclohexan-1-ol has a molecular weight of 271.16 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(5-bromo-2-pyridinyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 119031585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).