(3-bromo-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone

C11H13BrN2O2 — CID 172648043

IUPAC(3-bromo-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccncc2Br)CCO1
InChIInChI=1S/C11H13BrN2O2/c1-8-7-14(4-5-16-8)11(15)9-2-3-13-6-10(9)12/h2-3,6,8H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyNREVNSLSLOTXCN-MRVPVSSYSA-N
MW285.14 g/mol
LogP1.71
Rot. Bonds1

About (3-bromo-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone

(3-bromo-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone (PubChem CID 172648043) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is (3-bromo-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-bromo-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone
PubChem CID172648043
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name(3-bromo-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccncc2Br)CCO1
InChIInChI=1S/C11H13BrN2O2/c1-8-7-14(4-5-16-8)11(15)9-2-3-13-6-10(9)12/h2-3,6,8H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyNREVNSLSLOTXCN-MRVPVSSYSA-N
XLogP1.71
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-bromo-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone with MolForge

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Related Compounds

(5-bromo-2-fluoro-4-pyridinyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647405
(2-bromo-4-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647327
(3-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 105072116
(3-bromo-4-pyridinyl)-piperidin-1-ylmethanone
CID 130772047
(2-bromo-3-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647316
(4-bromo-2-fluoro-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 171382981
[3-(ethylamino)-4-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 105069932
(2-bromo-6-fluorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647340
(2-bromo-3-methylphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647311
(2-bromo-6-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647342
(3aR,7aS)-5-(3-bromopyridine-4-carbonyl)-1-methyl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
CID 120963711
[2-(bromomethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443645

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone?
The IUPAC name of (3-bromo-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone (CID 172648043) is (3-bromo-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (3-bromo-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone?
The canonical SMILES for (3-bromo-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2ccncc2Br)CCO1.
What is the InChIKey of (3-bromo-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone?
The InChIKey is NREVNSLSLOTXCN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-8-7-14(4-5-16-8)11(15)9-2-3-13-6-10(9)12/h2-3,6,8H,4-5,7H2,1H3/t8-/m1/s1.
What are the key properties of (3-bromo-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone?
(3-bromo-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone has a molecular weight of 285.14 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 172648043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).