2-(3-chloro-1-methylindazol-5-yl)morpholine

C12H14ClN3O — CID 117382717

IUPAC2-(3-chloro-1-methylindazol-5-yl)morpholine
SMILESCn1nc(Cl)c2cc(C3CNCCO3)ccc21
InChIInChI=1S/C12H14ClN3O/c1-16-10-3-2-8(6-9(10)12(13)15-16)11-7-14-4-5-17-11/h2-3,6,11,14H,4-5,7H2,1H3
InChIKeyOCSLBYQVWRBJJB-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.89
Rot. Bonds1

About 2-(3-chloro-1-methylindazol-5-yl)morpholine

2-(3-chloro-1-methylindazol-5-yl)morpholine (PubChem CID 117382717) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-(3-chloro-1-methylindazol-5-yl)morpholine.

Molecular Properties

Compound Name2-(3-chloro-1-methylindazol-5-yl)morpholine
PubChem CID117382717
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name2-(3-chloro-1-methylindazol-5-yl)morpholine
SMILESCn1nc(Cl)c2cc(C3CNCCO3)ccc21
InChIInChI=1S/C12H14ClN3O/c1-16-10-3-2-8(6-9(10)12(13)15-16)11-7-14-4-5-17-11/h2-3,6,11,14H,4-5,7H2,1H3
InChIKeyOCSLBYQVWRBJJB-UHFFFAOYSA-N
XLogP1.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-1-methylindol-5-yl)morpholine
CID 117380161
2-(4-bromo-3-chlorophenyl)morpholine
CID 83745004
2-(3,4-dimethylphenyl)morpholine
CID 43169342
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]morpholine
CID 117454632
2-(3-bromo-1-methylindazol-4-yl)morpholine
CID 117477160
2-(3-bromo-4-methylphenyl)morpholine
CID 83730909
2-(3-chloro-4-propan-2-ylsulfanylphenyl)morpholine
CID 117432500
5-ethyl-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 175873849
2-(1-methylpyrrol-3-yl)morpholine
CID 82280335
(2R)-2-(4-fluoro-3-methylphenyl)morpholine
CID 94254202
2-(1,5-dimethylpyrazol-3-yl)morpholine
CID 82601049

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-1-methylindazol-5-yl)morpholine?
The IUPAC name of 2-(3-chloro-1-methylindazol-5-yl)morpholine (CID 117382717) is 2-(3-chloro-1-methylindazol-5-yl)morpholine.
What is the SMILES notation for 2-(3-chloro-1-methylindazol-5-yl)morpholine?
The canonical SMILES for 2-(3-chloro-1-methylindazol-5-yl)morpholine is Cn1nc(Cl)c2cc(C3CNCCO3)ccc21.
What is the InChIKey of 2-(3-chloro-1-methylindazol-5-yl)morpholine?
The InChIKey is OCSLBYQVWRBJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-16-10-3-2-8(6-9(10)12(13)15-16)11-7-14-4-5-17-11/h2-3,6,11,14H,4-5,7H2,1H3.
What are the key properties of 2-(3-chloro-1-methylindazol-5-yl)morpholine?
2-(3-chloro-1-methylindazol-5-yl)morpholine has a molecular weight of 251.72 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-1-methylindazol-5-yl)morpholine is sourced from PubChem (CID 117382717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).