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

C12H17ClFN3O2 — CID 71861097

IUPAC1-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol
SMILESOC(CNc1ncc(Cl)cc1F)CN1CCOCC1
InChIInChI=1S/C12H17ClFN3O2/c13-9-5-11(14)12(15-6-9)16-7-10(18)8-17-1-3-19-4-2-17/h5-6,10,18H,1-4,7-8H2,(H,15,16)
InChIKeyOHZNNJCQQCRJQB-UHFFFAOYSA-N
MW289.74 g/mol
LogP0.98
Rot. Bonds5

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

1-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 71861097) has the molecular formula C12H17ClFN3O2 and a molecular weight of 289.74 g/mol. Its IUPAC name is 1-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol
PubChem CID71861097
Molecular FormulaC12H17ClFN3O2
Molecular Weight289.74 g/mol
Exact Mass289.10
IUPAC Name1-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol
SMILESOC(CNc1ncc(Cl)cc1F)CN1CCOCC1
InChIInChI=1S/C12H17ClFN3O2/c13-9-5-11(14)12(15-6-9)16-7-10(18)8-17-1-3-19-4-2-17/h5-6,10,18H,1-4,7-8H2,(H,15,16)
InChIKeyOHZNNJCQQCRJQB-UHFFFAOYSA-N
XLogP0.98
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol (CID 71861097) is 1-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol is OC(CNc1ncc(Cl)cc1F)CN1CCOCC1.
What is the InChIKey of 1-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is OHZNNJCQQCRJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN3O2/c13-9-5-11(14)12(15-6-9)16-7-10(18)8-17-1-3-19-4-2-17/h5-6,10,18H,1-4,7-8H2,(H,15,16).
What are the key properties of 1-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol?
1-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 289.74 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 71861097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).