(2S)-4-(3-bromo-5-methyl-2-pyridinyl)-2-(furan-2-yl)morpholine

C14H15BrN2O2 — CID 99841109

IUPAC(2S)-4-(3-bromo-5-methyl-2-pyridinyl)-2-(furan-2-yl)morpholine
SMILESCc1cnc(N2CCO[C@H](c3ccco3)C2)c(Br)c1
InChIInChI=1S/C14H15BrN2O2/c1-10-7-11(15)14(16-8-10)17-4-6-19-13(9-17)12-3-2-5-18-12/h2-3,5,7-8,13H,4,6,9H2,1H3/t13-/m0/s1
InChIKeyXHUKREHSIHRAPI-ZDUSSCGKSA-N
MW323.19 g/mol
LogP3.32
Rot. Bonds2

About (2S)-4-(3-bromo-5-methyl-2-pyridinyl)-2-(furan-2-yl)morpholine

(2S)-4-(3-bromo-5-methyl-2-pyridinyl)-2-(furan-2-yl)morpholine (PubChem CID 99841109) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is (2S)-4-(3-bromo-5-methyl-2-pyridinyl)-2-(furan-2-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-(3-bromo-5-methyl-2-pyridinyl)-2-(furan-2-yl)morpholine
PubChem CID99841109
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name(2S)-4-(3-bromo-5-methyl-2-pyridinyl)-2-(furan-2-yl)morpholine
SMILESCc1cnc(N2CCO[C@H](c3ccco3)C2)c(Br)c1
InChIInChI=1S/C14H15BrN2O2/c1-10-7-11(15)14(16-8-10)17-4-6-19-13(9-17)12-3-2-5-18-12/h2-3,5,7-8,13H,4,6,9H2,1H3/t13-/m0/s1
InChIKeyXHUKREHSIHRAPI-ZDUSSCGKSA-N
XLogP3.32
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-(dimethylamino)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridine-3-carboxamide
CID 172435847
5-bromo-N-(2-(furan-2-yl)-2-methoxyethyl)nicotinamide
CID 76149952
(1S)-2-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-(furan-2-yl)ethanol
CID 97068282
N-(5-bromo-2-pyridinyl)-N-ethyl-3-methylfuran-2-carboxamide
CID 121584629
(2S)-2-(furan-2-yl)-4-(6-methyl-2-pyridinyl)morpholine
CID 129393249
(2S)-N-(5-fluoro-2-pyridinyl)-2-(furan-2-yl)morpholine-4-carboxamide
CID 99599337
(2R)-N-(5-fluoro-2-pyridinyl)-2-(furan-2-yl)morpholine-4-carboxamide
CID 99599339
5-bromo-3-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine
CID 104924001
5-bromo-N-[2-(furan-2-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796023
N-(5-fluoro-2-pyridinyl)-2-(furan-2-yl)morpholine-4-carboxamide
CID 121515429
2-(Furan-2-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholine
CID 133347117
2-(Furan-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine
CID 133347146

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3-bromo-5-methyl-2-pyridinyl)-2-(furan-2-yl)morpholine?
The IUPAC name of (2S)-4-(3-bromo-5-methyl-2-pyridinyl)-2-(furan-2-yl)morpholine (CID 99841109) is (2S)-4-(3-bromo-5-methyl-2-pyridinyl)-2-(furan-2-yl)morpholine.
What is the SMILES notation for (2S)-4-(3-bromo-5-methyl-2-pyridinyl)-2-(furan-2-yl)morpholine?
The canonical SMILES for (2S)-4-(3-bromo-5-methyl-2-pyridinyl)-2-(furan-2-yl)morpholine is Cc1cnc(N2CCO[C@H](c3ccco3)C2)c(Br)c1.
What is the InChIKey of (2S)-4-(3-bromo-5-methyl-2-pyridinyl)-2-(furan-2-yl)morpholine?
The InChIKey is XHUKREHSIHRAPI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-10-7-11(15)14(16-8-10)17-4-6-19-13(9-17)12-3-2-5-18-12/h2-3,5,7-8,13H,4,6,9H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-4-(3-bromo-5-methyl-2-pyridinyl)-2-(furan-2-yl)morpholine?
(2S)-4-(3-bromo-5-methyl-2-pyridinyl)-2-(furan-2-yl)morpholine has a molecular weight of 323.19 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3-bromo-5-methyl-2-pyridinyl)-2-(furan-2-yl)morpholine is sourced from PubChem (CID 99841109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).