trans-(1R,2R)-2-(2-chloro-4-imino-1-pyridinyl)cyclopentan-1-ol

C10H13ClN2O — CID 126846122

IUPACtrans-(1R,2R)-2-(2-chloro-4-imino-1-pyridinyl)cyclopentan-1-ol
SMILES[H]/N=c1\ccn([C@@H]2CCC[C@H]2O)c(Cl)c1
InChIInChI=1S/C10H13ClN2O/c11-10-6-7(12)4-5-13(10)8-2-1-3-9(8)14/h4-6,8-9,12,14H,1-3H2/b12-7+/t8-,9-/m1/s1
InChIKeyGBDAIHPFFSOQCZ-XQIABIJJSA-N
MW212.68 g/mol
LogP1.71
Rot. Bonds1

About trans-(1R,2R)-2-(2-chloro-4-imino-1-pyridinyl)cyclopentan-1-ol

trans-(1R,2R)-2-(2-chloro-4-imino-1-pyridinyl)cyclopentan-1-ol (PubChem CID 126846122) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-chloro-4-imino-1-pyridinyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-chloro-4-imino-1-pyridinyl)cyclopentan-1-ol
PubChem CID126846122
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Nametrans-(1R,2R)-2-(2-chloro-4-imino-1-pyridinyl)cyclopentan-1-ol
SMILES[H]/N=c1\ccn([C@@H]2CCC[C@H]2O)c(Cl)c1
InChIInChI=1S/C10H13ClN2O/c11-10-6-7(12)4-5-13(10)8-2-1-3-9(8)14/h4-6,8-9,12,14H,1-3H2/b12-7+/t8-,9-/m1/s1
InChIKeyGBDAIHPFFSOQCZ-XQIABIJJSA-N
XLogP1.71
TPSA49.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.71
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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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-chloro-4-imino-1-pyridinyl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(2-chloro-4-imino-1-pyridinyl)cyclopentan-1-ol (CID 126846122) is trans-(1R,2R)-2-(2-chloro-4-imino-1-pyridinyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(2-chloro-4-imino-1-pyridinyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(2-chloro-4-imino-1-pyridinyl)cyclopentan-1-ol is [H]/N=c1\ccn([C@@H]2CCC[C@H]2O)c(Cl)c1.
What is the InChIKey of trans-(1R,2R)-2-(2-chloro-4-imino-1-pyridinyl)cyclopentan-1-ol?
The InChIKey is GBDAIHPFFSOQCZ-XQIABIJJSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-10-6-7(12)4-5-13(10)8-2-1-3-9(8)14/h4-6,8-9,12,14H,1-3H2/b12-7+/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2-chloro-4-imino-1-pyridinyl)cyclopentan-1-ol?
trans-(1R,2R)-2-(2-chloro-4-imino-1-pyridinyl)cyclopentan-1-ol has a molecular weight of 212.68 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2-chloro-4-imino-1-pyridinyl)cyclopentan-1-ol is sourced from PubChem (CID 126846122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).