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

C11H17ClN2O — CID 130778820

IUPAC3-[(2-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol
SMILESCCC(Nc1ccnc(Cl)c1)C(C)(C)O
InChIInChI=1S/C11H17ClN2O/c1-4-9(11(2,3)15)14-8-5-6-13-10(12)7-8/h5-7,9,15H,4H2,1-3H3,(H,13,14)
InChIKeyWWUYJRUGZSEUBL-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.70
Rot. Bonds4

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

3-[(2-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol (PubChem CID 130778820) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 3-[(2-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name3-[(2-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol
PubChem CID130778820
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name3-[(2-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol
SMILESCCC(Nc1ccnc(Cl)c1)C(C)(C)O
InChIInChI=1S/C11H17ClN2O/c1-4-9(11(2,3)15)14-8-5-6-13-10(12)7-8/h5-7,9,15H,4H2,1-3H3,(H,13,14)
InChIKeyWWUYJRUGZSEUBL-UHFFFAOYSA-N
XLogP2.70
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.70
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 3-[(2-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol?
The IUPAC name of 3-[(2-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol (CID 130778820) is 3-[(2-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol.
What is the SMILES notation for 3-[(2-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol?
The canonical SMILES for 3-[(2-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol is CCC(Nc1ccnc(Cl)c1)C(C)(C)O.
What is the InChIKey of 3-[(2-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol?
The InChIKey is WWUYJRUGZSEUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-4-9(11(2,3)15)14-8-5-6-13-10(12)7-8/h5-7,9,15H,4H2,1-3H3,(H,13,14).
What are the key properties of 3-[(2-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol?
3-[(2-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol has a molecular weight of 228.72 g/mol, XLogP of 2.70, 4 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]-2-methylpentan-2-ol is sourced from PubChem (CID 130778820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).