trans-(1S,2S)-2-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol

C11H15ClN2O — CID 133495254

IUPACtrans-(1S,2S)-2-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Nc1ccnc(Cl)c1
InChIInChI=1S/C11H15ClN2O/c12-11-7-8(5-6-13-11)14-9-3-1-2-4-10(9)15/h5-7,9-10,15H,1-4H2,(H,13,14)/t9-,10-/m0/s1
InChIKeyBERLXAPYSLRNSQ-UWVGGRQHSA-N
MW226.71 g/mol
LogP2.45
Rot. Bonds2

About trans-(1S,2S)-2-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol

trans-(1S,2S)-2-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol (PubChem CID 133495254) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol
PubChem CID133495254
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Nametrans-(1S,2S)-2-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Nc1ccnc(Cl)c1
InChIInChI=1S/C11H15ClN2O/c12-11-7-8(5-6-13-11)14-9-3-1-2-4-10(9)15/h5-7,9-10,15H,1-4H2,(H,13,14)/t9-,10-/m0/s1
InChIKeyBERLXAPYSLRNSQ-UWVGGRQHSA-N
XLogP2.45
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.45
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

2-chloro-N-(2-methylcycloheptyl)pyridin-4-amine
CID 102824270
N-(2-bicyclo[4.1.0]heptanyl)-2-chloropyridin-4-amine
CID 164655530
3-[(2-chloro-4-pyridinyl)amino]cyclobutan-1-ol
CID 102824278
4-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol
CID 103721709
2-chloro-N-(2-ethylsulfanylcyclopentyl)pyridin-4-amine
CID 103804841
2-chloro-N-[(2R,3R)-2-methyloxolan-3-yl]pyridin-4-amine
CID 130671043
(1S)-2-(3-chloroanilino)cyclopentan-1-ol
CID 167050048
[4-[(2-chloro-4-pyridinyl)amino]piperidin-1-yl]-cyclohexylmethanone
CID 133373916
trans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol
CID 93345854
trans-(1S,2S)-2-(3,4-difluoroanilino)cyclohexan-1-ol
CID 102730932
trans-(1S,2S)-2-[(6-chloroquinolin-4-yl)amino]cyclohexan-1-ol
CID 133495334
2-(4-bromo-3-chloroanilino)cyclopentan-1-ol
CID 107619823

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol (CID 133495254) is trans-(1S,2S)-2-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1Nc1ccnc(Cl)c1.
What is the InChIKey of trans-(1S,2S)-2-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol?
The InChIKey is BERLXAPYSLRNSQ-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-11-7-8(5-6-13-11)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-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol has a molecular weight of 226.71 g/mol, XLogP of 2.45, 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-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 133495254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).