tert-butyl 2-[4-(4-bromo-6-fluoro-2-pyridinyl)morpholin-3-yl]acetate

C15H20BrFN2O3 — CID 129248364

IUPACtert-butyl 2-[4-(4-bromo-6-fluoro-2-pyridinyl)morpholin-3-yl]acetate
SMILESCC(C)(C)OC(=O)CC1COCCN1c1cc(Br)cc(F)n1
InChIInChI=1S/C15H20BrFN2O3/c1-15(2,3)22-14(20)8-11-9-21-5-4-19(11)13-7-10(16)6-12(17)18-13/h6-7,11H,4-5,8-9H2,1-3H3
InChIKeyKZFAEVNWHQTKLZ-UHFFFAOYSA-N
MW375.24 g/mol
LogP2.92
Rot. Bonds3

About tert-butyl 2-[4-(4-bromo-6-fluoro-2-pyridinyl)morpholin-3-yl]acetate

tert-butyl 2-[4-(4-bromo-6-fluoro-2-pyridinyl)morpholin-3-yl]acetate (PubChem CID 129248364) has the molecular formula C15H20BrFN2O3 and a molecular weight of 375.24 g/mol. Its IUPAC name is tert-butyl 2-[4-(4-bromo-6-fluoro-2-pyridinyl)morpholin-3-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-(4-bromo-6-fluoro-2-pyridinyl)morpholin-3-yl]acetate
PubChem CID129248364
Molecular FormulaC15H20BrFN2O3
Molecular Weight375.24 g/mol
Exact Mass374.06
IUPAC Nametert-butyl 2-[4-(4-bromo-6-fluoro-2-pyridinyl)morpholin-3-yl]acetate
SMILESCC(C)(C)OC(=O)CC1COCCN1c1cc(Br)cc(F)n1
InChIInChI=1S/C15H20BrFN2O3/c1-15(2,3)22-14(20)8-11-9-21-5-4-19(11)13-7-10(16)6-12(17)18-13/h6-7,11H,4-5,8-9H2,1-3H3
InChIKeyKZFAEVNWHQTKLZ-UHFFFAOYSA-N
XLogP2.92
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.24
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[8-bromo-6-[(3S)-3-methylmorpholin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 178009170
2-[4-(4-bromo-2-methylphenyl)morpholin-3-yl]acetic acid
CID 117009374
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
methyl 2-chloro-6-(3-ethylmorpholin-4-yl)pyrimidine-4-carboxylate
CID 76561309
tert-butyl 2-[(8S)-2-(3-methylmorpholin-4-yl)-4-oxo-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-9-yl]acetate
CID 118104510
(3S)-4-[6-bromo-4-(bromomethyl)-2-pyridinyl]-3-ethylmorpholine
CID 138688338
tert-butyl N-[5-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]carbamate
CID 162439842
4-(6-fluoro-4-iodo-2-pyridinyl)morpholin-3-ol
CID 166768637
tert-butyl 3-[2-(chloromethoxy)-2-oxoethyl]morpholine-4-carboxylate
CID 165438860
2-tert-butyl-6-(3-ethylmorpholin-4-yl)pyrimidin-4-amine
CID 80967084
4-(5-bromo-2-pyridinyl)-3-ethylmorpholine
CID 61375479
tert-butyl 3-[2-(5-bromofuran-2-yl)-2-oxoethyl]morpholine-4-carboxylate
CID 104856606

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-(4-bromo-6-fluoro-2-pyridinyl)morpholin-3-yl]acetate?
The IUPAC name of tert-butyl 2-[4-(4-bromo-6-fluoro-2-pyridinyl)morpholin-3-yl]acetate (CID 129248364) is tert-butyl 2-[4-(4-bromo-6-fluoro-2-pyridinyl)morpholin-3-yl]acetate.
What is the SMILES notation for tert-butyl 2-[4-(4-bromo-6-fluoro-2-pyridinyl)morpholin-3-yl]acetate?
The canonical SMILES for tert-butyl 2-[4-(4-bromo-6-fluoro-2-pyridinyl)morpholin-3-yl]acetate is CC(C)(C)OC(=O)CC1COCCN1c1cc(Br)cc(F)n1.
What is the InChIKey of tert-butyl 2-[4-(4-bromo-6-fluoro-2-pyridinyl)morpholin-3-yl]acetate?
The InChIKey is KZFAEVNWHQTKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O3/c1-15(2,3)22-14(20)8-11-9-21-5-4-19(11)13-7-10(16)6-12(17)18-13/h6-7,11H,4-5,8-9H2,1-3H3.
What are the key properties of tert-butyl 2-[4-(4-bromo-6-fluoro-2-pyridinyl)morpholin-3-yl]acetate?
tert-butyl 2-[4-(4-bromo-6-fluoro-2-pyridinyl)morpholin-3-yl]acetate has a molecular weight of 375.24 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-(4-bromo-6-fluoro-2-pyridinyl)morpholin-3-yl]acetate is sourced from PubChem (CID 129248364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).