3-[(2-chloro-4-pyridinyl)amino]cyclobutan-1-ol

C9H11ClN2O — CID 102824278

IUPAC3-[(2-chloro-4-pyridinyl)amino]cyclobutan-1-ol
SMILESOC1CC(Nc2ccnc(Cl)c2)C1
InChIInChI=1S/C9H11ClN2O/c10-9-5-6(1-2-11-9)12-7-3-8(13)4-7/h1-2,5,7-8,13H,3-4H2,(H,11,12)
InChIKeyBBMICAJNOPYPDH-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.67
Rot. Bonds2

About 3-[(2-chloro-4-pyridinyl)amino]cyclobutan-1-ol

3-[(2-chloro-4-pyridinyl)amino]cyclobutan-1-ol (PubChem CID 102824278) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 3-[(2-chloro-4-pyridinyl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(2-chloro-4-pyridinyl)amino]cyclobutan-1-ol
PubChem CID102824278
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name3-[(2-chloro-4-pyridinyl)amino]cyclobutan-1-ol
SMILESOC1CC(Nc2ccnc(Cl)c2)C1
InChIInChI=1S/C9H11ClN2O/c10-9-5-6(1-2-11-9)12-7-3-8(13)4-7/h1-2,5,7-8,13H,3-4H2,(H,11,12)
InChIKeyBBMICAJNOPYPDH-UHFFFAOYSA-N
XLogP1.67
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.67
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

4-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol
CID 103721709
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
N-(2-bicyclo[4.1.0]heptanyl)-2-chloropyridin-4-amine
CID 164655530
2-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-4-amine
CID 107428685
2-chloro-N-(2-methylcycloheptyl)pyridin-4-amine
CID 102824270
2-chloro-N-[(2R,3R)-2-methyloxolan-3-yl]pyridin-4-amine
CID 130671043
N-(2-chloro-4-pyridinyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide
CID 154802517
2-chloro-N-(2,2-dimethyloxolan-3-yl)pyridin-4-amine
CID 131172392
3-[(3-chloro-2-methyl-4-pyridinyl)amino]cyclobutan-1-ol
CID 130588360
[4-[(2-chloro-4-pyridinyl)amino]piperidin-1-yl]-cyclohexylmethanone
CID 133373916
1-(2-chloro-4-pyridinyl)-3-cyclobutylurea
CID 14625236

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-pyridinyl)amino]cyclobutan-1-ol?
The IUPAC name of 3-[(2-chloro-4-pyridinyl)amino]cyclobutan-1-ol (CID 102824278) is 3-[(2-chloro-4-pyridinyl)amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[(2-chloro-4-pyridinyl)amino]cyclobutan-1-ol?
The canonical SMILES for 3-[(2-chloro-4-pyridinyl)amino]cyclobutan-1-ol is OC1CC(Nc2ccnc(Cl)c2)C1.
What is the InChIKey of 3-[(2-chloro-4-pyridinyl)amino]cyclobutan-1-ol?
The InChIKey is BBMICAJNOPYPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-9-5-6(1-2-11-9)12-7-3-8(13)4-7/h1-2,5,7-8,13H,3-4H2,(H,11,12).
What are the key properties of 3-[(2-chloro-4-pyridinyl)amino]cyclobutan-1-ol?
3-[(2-chloro-4-pyridinyl)amino]cyclobutan-1-ol has a molecular weight of 198.65 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-pyridinyl)amino]cyclobutan-1-ol is sourced from PubChem (CID 102824278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).