trans-(1R,2R)-2-[(6-chloro-2-pyridinyl)amino]cyclobutan-1-ol

C9H11ClN2O — CID 131025929

IUPACtrans-(1R,2R)-2-[(6-chloro-2-pyridinyl)amino]cyclobutan-1-ol
SMILESO[C@@H]1CC[C@H]1Nc1cccc(Cl)n1
InChIInChI=1S/C9H11ClN2O/c10-8-2-1-3-9(12-8)11-6-4-5-7(6)13/h1-3,6-7,13H,4-5H2,(H,11,12)/t6-,7-/m1/s1
InChIKeyPCGVVKRNYOELSK-RNFRBKRXSA-N
MW198.65 g/mol
LogP1.67
Rot. Bonds2

About trans-(1R,2R)-2-[(6-chloro-2-pyridinyl)amino]cyclobutan-1-ol

trans-(1R,2R)-2-[(6-chloro-2-pyridinyl)amino]cyclobutan-1-ol (PubChem CID 131025929) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(6-chloro-2-pyridinyl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(6-chloro-2-pyridinyl)amino]cyclobutan-1-ol
PubChem CID131025929
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Nametrans-(1R,2R)-2-[(6-chloro-2-pyridinyl)amino]cyclobutan-1-ol
SMILESO[C@@H]1CC[C@H]1Nc1cccc(Cl)n1
InChIInChI=1S/C9H11ClN2O/c10-8-2-1-3-9(12-8)11-6-4-5-7(6)13/h1-3,6-7,13H,4-5H2,(H,11,12)/t6-,7-/m1/s1
InChIKeyPCGVVKRNYOELSK-RNFRBKRXSA-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'}

Analyze trans-(1R,2R)-2-[(6-chloro-2-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

Related Compounds

6-chloro-N-[(1S,2R)-2-fluorocyclopentyl]pyridin-2-amine
CID 131160215
6-chloro-N-(2-phenylcyclopropyl)pyridin-2-amine
CID 63586356
6-chloro-N-pyrrolidin-3-ylpyridin-2-amine
CID 78996740
6-chloro-N-(2,4,4-trimethylcyclopentyl)pyridin-2-amine
CID 106662703
6-chloro-N-piperidin-3-ylpyridin-2-amine
CID 71564691
trans-(1R,2R)-2-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclobutan-1-ol
CID 130736526
6-chloro-N-fluoropyridin-2-amine
CID 171556919
6-[(2-hydroxycyclohexyl)amino]pyridine-2-carbothioamide
CID 64595865
6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)pyridin-2-amine
CID 55027626
cis-(1S,2R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]cyclohexan-1-ol
CID 52840167
6-chloro-N-(3-ethylcyclohexyl)pyridin-2-amine
CID 64744124
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]cycloheptan-1-ol
CID 102716139

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(6-chloro-2-pyridinyl)amino]cyclobutan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(6-chloro-2-pyridinyl)amino]cyclobutan-1-ol (CID 131025929) is trans-(1R,2R)-2-[(6-chloro-2-pyridinyl)amino]cyclobutan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(6-chloro-2-pyridinyl)amino]cyclobutan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(6-chloro-2-pyridinyl)amino]cyclobutan-1-ol is O[C@@H]1CC[C@H]1Nc1cccc(Cl)n1.
What is the InChIKey of trans-(1R,2R)-2-[(6-chloro-2-pyridinyl)amino]cyclobutan-1-ol?
The InChIKey is PCGVVKRNYOELSK-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-8-2-1-3-9(12-8)11-6-4-5-7(6)13/h1-3,6-7,13H,4-5H2,(H,11,12)/t6-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(6-chloro-2-pyridinyl)amino]cyclobutan-1-ol?
trans-(1R,2R)-2-[(6-chloro-2-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 trans-(1R,2R)-2-[(6-chloro-2-pyridinyl)amino]cyclobutan-1-ol is sourced from PubChem (CID 131025929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).