(3-bromo-2-pyridinyl)-(2-phenylmorpholin-4-yl)methanone

C16H15BrN2O2 — CID 107518605

IUPAC(3-bromo-2-pyridinyl)-(2-phenylmorpholin-4-yl)methanone
SMILESO=C(c1ncccc1Br)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C16H15BrN2O2/c17-13-7-4-8-18-15(13)16(20)19-9-10-21-14(11-19)12-5-2-1-3-6-12/h1-8,14H,9-11H2
InChIKeyUPQCYRRTIVQGKD-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.06
Rot. Bonds2

About (3-bromo-2-pyridinyl)-(2-phenylmorpholin-4-yl)methanone

(3-bromo-2-pyridinyl)-(2-phenylmorpholin-4-yl)methanone (PubChem CID 107518605) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is (3-bromo-2-pyridinyl)-(2-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2-pyridinyl)-(2-phenylmorpholin-4-yl)methanone
PubChem CID107518605
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name(3-bromo-2-pyridinyl)-(2-phenylmorpholin-4-yl)methanone
SMILESO=C(c1ncccc1Br)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C16H15BrN2O2/c17-13-7-4-8-18-15(13)16(20)19-9-10-21-14(11-19)12-5-2-1-3-6-12/h1-8,14H,9-11H2
InChIKeyUPQCYRRTIVQGKD-UHFFFAOYSA-N
XLogP3.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-2-pyridinyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 107519186
(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 97264285
(3-methyl-2-pyridinyl)-[(2R)-2-pyridin-2-ylmorpholin-4-yl]methanone
CID 125022820
[(2R)-2-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 31414918
isoquinolin-1-yl-[(2R)-2-pyridin-4-ylmorpholin-4-yl]methanone
CID 124957778
(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 52534001
(5-bromofuran-2-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 31414929
1-(3-bromopyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 107517086
(4-amino-5-methyl-1H-pyrazol-3-yl)-(2-phenylmorpholin-4-yl)methanone
CID 62082120
(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
(3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 66715242
[(2R)-2-(2-bromophenyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 124571795

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-pyridinyl)-(2-phenylmorpholin-4-yl)methanone?
The IUPAC name of (3-bromo-2-pyridinyl)-(2-phenylmorpholin-4-yl)methanone (CID 107518605) is (3-bromo-2-pyridinyl)-(2-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for (3-bromo-2-pyridinyl)-(2-phenylmorpholin-4-yl)methanone?
The canonical SMILES for (3-bromo-2-pyridinyl)-(2-phenylmorpholin-4-yl)methanone is O=C(c1ncccc1Br)N1CCOC(c2ccccc2)C1.
What is the InChIKey of (3-bromo-2-pyridinyl)-(2-phenylmorpholin-4-yl)methanone?
The InChIKey is UPQCYRRTIVQGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c17-13-7-4-8-18-15(13)16(20)19-9-10-21-14(11-19)12-5-2-1-3-6-12/h1-8,14H,9-11H2.
What are the key properties of (3-bromo-2-pyridinyl)-(2-phenylmorpholin-4-yl)methanone?
(3-bromo-2-pyridinyl)-(2-phenylmorpholin-4-yl)methanone has a molecular weight of 347.21 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-pyridinyl)-(2-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 107518605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).