(3-bromo-2-pyridinyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

C11H13BrN2O3 — CID 107519186

IUPAC(3-bromo-2-pyridinyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1ncccc1Br)N1CCOC(CO)C1
InChIInChI=1S/C11H13BrN2O3/c12-9-2-1-3-13-10(9)11(16)14-4-5-17-8(6-14)7-15/h1-3,8,15H,4-7H2
InChIKeyQPWYHUBIGDMOBY-UHFFFAOYSA-N
MW301.14 g/mol
LogP0.68
Rot. Bonds2

About (3-bromo-2-pyridinyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

(3-bromo-2-pyridinyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 107519186) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is (3-bromo-2-pyridinyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-bromo-2-pyridinyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID107519186
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name(3-bromo-2-pyridinyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1ncccc1Br)N1CCOC(CO)C1
InChIInChI=1S/C11H13BrN2O3/c12-9-2-1-3-13-10(9)11(16)14-4-5-17-8(6-14)7-15/h1-3,8,15H,4-7H2
InChIKeyQPWYHUBIGDMOBY-UHFFFAOYSA-N
XLogP0.68
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203060
(3-bromo-2-pyridinyl)-(2-phenylmorpholin-4-yl)methanone
CID 107518605
2-[4-(3-hydroxypyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421765
[2-(hydroxymethyl)morpholin-4-yl]-quinolin-8-ylmethanone
CID 81208124
(3-bromo-2-pyridinyl)-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)methanone
CID 128974411
(2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207971
(3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 66715242
2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-3-yl]acetic acid
CID 107517164
[3-(bromomethyl)piperidin-1-yl]-(3-bromo-2-pyridinyl)methanone
CID 107526191
(2-bromo-3-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 103855429
2-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]morpholin-2-yl]acetic acid
CID 120527535
2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid
CID 103429192

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-pyridinyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (3-bromo-2-pyridinyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (CID 107519186) is (3-bromo-2-pyridinyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-bromo-2-pyridinyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (3-bromo-2-pyridinyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is O=C(c1ncccc1Br)N1CCOC(CO)C1.
What is the InChIKey of (3-bromo-2-pyridinyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is QPWYHUBIGDMOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c12-9-2-1-3-13-10(9)11(16)14-4-5-17-8(6-14)7-15/h1-3,8,15H,4-7H2.
What are the key properties of (3-bromo-2-pyridinyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
(3-bromo-2-pyridinyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 301.14 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-pyridinyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 107519186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).