2-(3-bromo-1-methylindazol-4-yl)morpholine

C12H14BrN3O — CID 117477160

IUPAC2-(3-bromo-1-methylindazol-4-yl)morpholine
SMILESCn1nc(Br)c2c(C3CNCCO3)cccc21
InChIInChI=1S/C12H14BrN3O/c1-16-9-4-2-3-8(11(9)12(13)15-16)10-7-14-5-6-17-10/h2-4,10,14H,5-7H2,1H3
InChIKeyHTXAJMZRHVHTQA-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.00
Rot. Bonds1

About 2-(3-bromo-1-methylindazol-4-yl)morpholine

2-(3-bromo-1-methylindazol-4-yl)morpholine (PubChem CID 117477160) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 2-(3-bromo-1-methylindazol-4-yl)morpholine.

Molecular Properties

Compound Name2-(3-bromo-1-methylindazol-4-yl)morpholine
PubChem CID117477160
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name2-(3-bromo-1-methylindazol-4-yl)morpholine
SMILESCn1nc(Br)c2c(C3CNCCO3)cccc21
InChIInChI=1S/C12H14BrN3O/c1-16-9-4-2-3-8(11(9)12(13)15-16)10-7-14-5-6-17-10/h2-4,10,14H,5-7H2,1H3
InChIKeyHTXAJMZRHVHTQA-UHFFFAOYSA-N
XLogP2.00
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(5-bromoimidazo[1,5-a]pyridin-1-yl)morpholine
CID 124518613
2-(3-chloro-1-methylindazol-5-yl)morpholine
CID 117382717
2-[2,3-bis(methylsulfanyl)phenyl]morpholine
CID 117391940
2-(1-methylpyrrol-3-yl)morpholine
CID 82280335
(2S)-2-(3-bromophenyl)morpholine
CID 28806253
2-(1,5-dimethylpyrazol-3-yl)morpholine
CID 82601049
2-(2-bromo-4-fluorophenyl)morpholine
CID 83734450
3-bromo-4-morpholin-2-ylphenol
CID 82623544
2-(5-bromo-2-chlorophenyl)morpholine
CID 83745002
2-fluoro-N,N-dimethyl-6-morpholin-2-ylaniline
CID 115111854
(2R)-2-(3-methylphenyl)morpholine
CID 42182782
2-(3-bromo-2,4-dimethoxyphenyl)morpholine
CID 117486500

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1-methylindazol-4-yl)morpholine?
The IUPAC name of 2-(3-bromo-1-methylindazol-4-yl)morpholine (CID 117477160) is 2-(3-bromo-1-methylindazol-4-yl)morpholine.
What is the SMILES notation for 2-(3-bromo-1-methylindazol-4-yl)morpholine?
The canonical SMILES for 2-(3-bromo-1-methylindazol-4-yl)morpholine is Cn1nc(Br)c2c(C3CNCCO3)cccc21.
What is the InChIKey of 2-(3-bromo-1-methylindazol-4-yl)morpholine?
The InChIKey is HTXAJMZRHVHTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-16-9-4-2-3-8(11(9)12(13)15-16)10-7-14-5-6-17-10/h2-4,10,14H,5-7H2,1H3.
What are the key properties of 2-(3-bromo-1-methylindazol-4-yl)morpholine?
2-(3-bromo-1-methylindazol-4-yl)morpholine has a molecular weight of 296.17 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1-methylindazol-4-yl)morpholine is sourced from PubChem (CID 117477160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).