(5-bromo-2-morpholin-4-yl-4-pyridinyl)methanol

C10H13BrN2O2 — CID 19437119

IUPAC(5-bromo-2-morpholin-4-yl-4-pyridinyl)methanol
SMILESOCc1cc(N2CCOCC2)ncc1Br
InChIInChI=1S/C10H13BrN2O2/c11-9-6-12-10(5-8(9)7-14)13-1-3-15-4-2-13/h5-6,14H,1-4,7H2
InChIKeyKNARCMSZLRUIHO-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.17
Rot. Bonds2

About (5-bromo-2-morpholin-4-yl-4-pyridinyl)methanol

(5-bromo-2-morpholin-4-yl-4-pyridinyl)methanol (PubChem CID 19437119) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is (5-bromo-2-morpholin-4-yl-4-pyridinyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-morpholin-4-yl-4-pyridinyl)methanol
PubChem CID19437119
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name(5-bromo-2-morpholin-4-yl-4-pyridinyl)methanol
SMILESOCc1cc(N2CCOCC2)ncc1Br
InChIInChI=1S/C10H13BrN2O2/c11-9-6-12-10(5-8(9)7-14)13-1-3-15-4-2-13/h5-6,14H,1-4,7H2
InChIKeyKNARCMSZLRUIHO-UHFFFAOYSA-N
XLogP1.17
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-morpholin-4-yl-4-pyridinyl)methanol?
The IUPAC name of (5-bromo-2-morpholin-4-yl-4-pyridinyl)methanol (CID 19437119) is (5-bromo-2-morpholin-4-yl-4-pyridinyl)methanol.
What is the SMILES notation for (5-bromo-2-morpholin-4-yl-4-pyridinyl)methanol?
The canonical SMILES for (5-bromo-2-morpholin-4-yl-4-pyridinyl)methanol is OCc1cc(N2CCOCC2)ncc1Br.
What is the InChIKey of (5-bromo-2-morpholin-4-yl-4-pyridinyl)methanol?
The InChIKey is KNARCMSZLRUIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c11-9-6-12-10(5-8(9)7-14)13-1-3-15-4-2-13/h5-6,14H,1-4,7H2.
What are the key properties of (5-bromo-2-morpholin-4-yl-4-pyridinyl)methanol?
(5-bromo-2-morpholin-4-yl-4-pyridinyl)methanol has a molecular weight of 273.13 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-morpholin-4-yl-4-pyridinyl)methanol is sourced from PubChem (CID 19437119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).