3-(6-chloro-4-morpholin-4-yl-2-pyridinyl)prop-2-en-1-ol

C12H15ClN2O2 — CID 166156057

IUPAC3-(6-chloro-4-morpholin-4-yl-2-pyridinyl)prop-2-en-1-ol
SMILESOCC=Cc1cc(N2CCOCC2)cc(Cl)n1
InChIInChI=1S/C12H15ClN2O2/c13-12-9-11(15-3-6-17-7-4-15)8-10(14-12)2-1-5-16/h1-2,8-9,16H,3-7H2
InChIKeyDMFXOFNXDAMAPX-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.58
Rot. Bonds3

About 3-(6-chloro-4-morpholin-4-yl-2-pyridinyl)prop-2-en-1-ol

3-(6-chloro-4-morpholin-4-yl-2-pyridinyl)prop-2-en-1-ol (PubChem CID 166156057) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3-(6-chloro-4-morpholin-4-yl-2-pyridinyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(6-chloro-4-morpholin-4-yl-2-pyridinyl)prop-2-en-1-ol
PubChem CID166156057
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name3-(6-chloro-4-morpholin-4-yl-2-pyridinyl)prop-2-en-1-ol
SMILESOCC=Cc1cc(N2CCOCC2)cc(Cl)n1
InChIInChI=1S/C12H15ClN2O2/c13-12-9-11(15-3-6-17-7-4-15)8-10(14-12)2-1-5-16/h1-2,8-9,16H,3-7H2
InChIKeyDMFXOFNXDAMAPX-UHFFFAOYSA-N
XLogP1.58
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(2,6-dichloro-4-pyridinyl)morpholine;2,4,6-trichloropyridine
CID 159726941
(E)-3-(6-chloro-7-fluoro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol;hydrochloride
CID 73357074
4-[2-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-4-pyridinyl]morpholine
CID 58110403
3-chloro-5-morpholin-4-ylphenol
CID 130057558
5-morpholin-4-ylbenzene-1,3-diol
CID 58923367
4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-3-en-1-ol
CID 170477281
4-[4-(3-chloroprop-1-enyl)-1,3-thiazol-2-yl]morpholine
CID 169478013
4-[2-(bromomethyl)-6-chloropyrimidin-4-yl]morpholine
CID 59529076
4-[(4,6-dichloropyrimidin-2-yl)oxymethyl]morpholine
CID 54387188
4-[2-chloro-3-(chloromethyl)quinolin-6-yl]morpholine
CID 55176340
3-(3-morpholin-4-ylphenyl)prop-2-ene-1-thiol
CID 169455965
(4-morpholin-4-ylphenyl)methanol
CID 2776456

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-4-morpholin-4-yl-2-pyridinyl)prop-2-en-1-ol?
The IUPAC name of 3-(6-chloro-4-morpholin-4-yl-2-pyridinyl)prop-2-en-1-ol (CID 166156057) is 3-(6-chloro-4-morpholin-4-yl-2-pyridinyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(6-chloro-4-morpholin-4-yl-2-pyridinyl)prop-2-en-1-ol?
The canonical SMILES for 3-(6-chloro-4-morpholin-4-yl-2-pyridinyl)prop-2-en-1-ol is OCC=Cc1cc(N2CCOCC2)cc(Cl)n1.
What is the InChIKey of 3-(6-chloro-4-morpholin-4-yl-2-pyridinyl)prop-2-en-1-ol?
The InChIKey is DMFXOFNXDAMAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-12-9-11(15-3-6-17-7-4-15)8-10(14-12)2-1-5-16/h1-2,8-9,16H,3-7H2.
What are the key properties of 3-(6-chloro-4-morpholin-4-yl-2-pyridinyl)prop-2-en-1-ol?
3-(6-chloro-4-morpholin-4-yl-2-pyridinyl)prop-2-en-1-ol has a molecular weight of 254.72 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-4-morpholin-4-yl-2-pyridinyl)prop-2-en-1-ol is sourced from PubChem (CID 166156057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).