1-[(5-chloro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol

C12H18ClN3O2 — CID 75384900

IUPAC1-[(5-chloro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol
SMILESOC(CNc1ccc(Cl)cn1)CN1CCOCC1
InChIInChI=1S/C12H18ClN3O2/c13-10-1-2-12(14-7-10)15-8-11(17)9-16-3-5-18-6-4-16/h1-2,7,11,17H,3-6,8-9H2,(H,14,15)
InChIKeyLAMUFJGGXOKAFK-UHFFFAOYSA-N
MW271.75 g/mol
LogP0.84
Rot. Bonds5

About 1-[(5-chloro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol

1-[(5-chloro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 75384900) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 1-[(5-chloro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-chloro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol
PubChem CID75384900
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name1-[(5-chloro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol
SMILESOC(CNc1ccc(Cl)cn1)CN1CCOCC1
InChIInChI=1S/C12H18ClN3O2/c13-10-1-2-12(14-7-10)15-8-11(17)9-16-3-5-18-6-4-16/h1-2,7,11,17H,3-6,8-9H2,(H,14,15)
InChIKeyLAMUFJGGXOKAFK-UHFFFAOYSA-N
XLogP0.84
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[(5-chloro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol (CID 75384900) is 1-[(5-chloro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[(5-chloro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[(5-chloro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol is OC(CNc1ccc(Cl)cn1)CN1CCOCC1.
What is the InChIKey of 1-[(5-chloro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is LAMUFJGGXOKAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c13-10-1-2-12(14-7-10)15-8-11(17)9-16-3-5-18-6-4-16/h1-2,7,11,17H,3-6,8-9H2,(H,14,15).
What are the key properties of 1-[(5-chloro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol?
1-[(5-chloro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 271.75 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 75384900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).