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

C11H15ClN2O — CID 103721709

IUPAC4-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccnc(Cl)c2)CC1
InChIInChI=1S/C11H15ClN2O/c12-11-7-9(5-6-13-11)14-8-1-3-10(15)4-2-8/h5-8,10,15H,1-4H2,(H,13,14)
InChIKeyJEODAVSRQIFWHX-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.45
Rot. Bonds2

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

4-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol (PubChem CID 103721709) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol
PubChem CID103721709
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name4-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccnc(Cl)c2)CC1
InChIInChI=1S/C11H15ClN2O/c12-11-7-9(5-6-13-11)14-8-1-3-10(15)4-2-8/h5-8,10,15H,1-4H2,(H,13,14)
InChIKeyJEODAVSRQIFWHX-UHFFFAOYSA-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

3-[(2-chloro-4-pyridinyl)amino]cyclobutan-1-ol
CID 102824278
4-[(2,6-dichloro-4-pyridinyl)amino]cyclohexan-1-ol
CID 87174143
trans-(1S,2S)-2-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol
CID 133495254
2-chloro-N-(oxolan-3-yl)pyridin-4-amine
CID 115486637
[4-[(2-chloro-4-pyridinyl)amino]piperidin-1-yl]-cyclohexylmethanone
CID 133373916
4-(3,5-dichloroanilino)cyclohexan-1-ol
CID 54546506
2-chloro-N-[(2R,3R)-2-methyloxolan-3-yl]pyridin-4-amine
CID 130671043
4-[(2,6-dichloropyrimidin-4-yl)amino]cyclohexan-1-ol
CID 52904812
4-[(2-chloro-5-iodo-4-pyridinyl)amino]cyclohexan-1-ol
CID 167426088
2-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-4-amine
CID 107428685
4-(3,5-dichloro-4-fluoroanilino)cyclohexan-1-ol
CID 107572751
1-(2-chloro-4-pyridinyl)-3-cyclobutylurea
CID 14625236

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol (CID 103721709) is 4-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol is OC1CCC(Nc2ccnc(Cl)c2)CC1.
What is the InChIKey of 4-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol?
The InChIKey is JEODAVSRQIFWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-11-7-9(5-6-13-11)14-8-1-3-10(15)4-2-8/h5-8,10,15H,1-4H2,(H,13,14).
What are the key properties of 4-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol?
4-[(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 4-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 103721709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).