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

C10H13ClN2O — CID 130588360

IUPAC3-[(3-chloro-2-methyl-4-pyridinyl)amino]cyclobutan-1-ol
SMILESCc1nccc(NC2CC(O)C2)c1Cl
InChIInChI=1S/C10H13ClN2O/c1-6-10(11)9(2-3-12-6)13-7-4-8(14)5-7/h2-3,7-8,14H,4-5H2,1H3,(H,12,13)
InChIKeyZLVYFZYPDRIZCF-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.98
Rot. Bonds2

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

3-[(3-chloro-2-methyl-4-pyridinyl)amino]cyclobutan-1-ol (PubChem CID 130588360) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 3-[(3-chloro-2-methyl-4-pyridinyl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(3-chloro-2-methyl-4-pyridinyl)amino]cyclobutan-1-ol
PubChem CID130588360
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name3-[(3-chloro-2-methyl-4-pyridinyl)amino]cyclobutan-1-ol
SMILESCc1nccc(NC2CC(O)C2)c1Cl
InChIInChI=1S/C10H13ClN2O/c1-6-10(11)9(2-3-12-6)13-7-4-8(14)5-7/h2-3,7-8,14H,4-5H2,1H3,(H,12,13)
InChIKeyZLVYFZYPDRIZCF-UHFFFAOYSA-N
XLogP1.98
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3-chloro-2-methyl-4-pyridinyl)amino]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-methyl-4-pyridinyl)amino]cyclobutan-1-ol?
The IUPAC name of 3-[(3-chloro-2-methyl-4-pyridinyl)amino]cyclobutan-1-ol (CID 130588360) is 3-[(3-chloro-2-methyl-4-pyridinyl)amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[(3-chloro-2-methyl-4-pyridinyl)amino]cyclobutan-1-ol?
The canonical SMILES for 3-[(3-chloro-2-methyl-4-pyridinyl)amino]cyclobutan-1-ol is Cc1nccc(NC2CC(O)C2)c1Cl.
What is the InChIKey of 3-[(3-chloro-2-methyl-4-pyridinyl)amino]cyclobutan-1-ol?
The InChIKey is ZLVYFZYPDRIZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-6-10(11)9(2-3-12-6)13-7-4-8(14)5-7/h2-3,7-8,14H,4-5H2,1H3,(H,12,13).
What are the key properties of 3-[(3-chloro-2-methyl-4-pyridinyl)amino]cyclobutan-1-ol?
3-[(3-chloro-2-methyl-4-pyridinyl)amino]cyclobutan-1-ol has a molecular weight of 212.68 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-methyl-4-pyridinyl)amino]cyclobutan-1-ol is sourced from PubChem (CID 130588360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).