[4-(4-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol

C12H18ClN3O2 — CID 114070637

IUPAC[4-(4-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(c2cc(N)cc(Cl)n2)CC(CO)O1
InChIInChI=1S/C12H18ClN3O2/c1-12(2)7-16(5-9(6-17)18-12)11-4-8(14)3-10(13)15-11/h3-4,9,17H,5-7H2,1-2H3,(H2,14,15)
InChIKeyKFOPXEPHOWDAAU-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.29
Rot. Bonds2

About [4-(4-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol

[4-(4-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114070637) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is [4-(4-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114070637
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name[4-(4-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(c2cc(N)cc(Cl)n2)CC(CO)O1
InChIInChI=1S/C12H18ClN3O2/c1-12(2)7-16(5-9(6-17)18-12)11-4-8(14)3-10(13)15-11/h3-4,9,17H,5-7H2,1-2H3,(H2,14,15)
InChIKeyKFOPXEPHOWDAAU-UHFFFAOYSA-N
XLogP1.29
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [4-(4-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-(4-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol (CID 114070637) is [4-(4-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(4-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(4-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol is CC1(C)CN(c2cc(N)cc(Cl)n2)CC(CO)O1.
What is the InChIKey of [4-(4-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is KFOPXEPHOWDAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-12(2)7-16(5-9(6-17)18-12)11-4-8(14)3-10(13)15-11/h3-4,9,17H,5-7H2,1-2H3,(H2,14,15).
What are the key properties of [4-(4-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol?
[4-(4-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 271.75 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114070637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).