1-[4-(3-bromo-5-chloro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine

C11H15BrClN3O — CID 114836366

IUPAC1-[4-(3-bromo-5-chloro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine
SMILESCNCC1CN(c2ncc(Cl)cc2Br)CCO1
InChIInChI=1S/C11H15BrClN3O/c1-14-6-9-7-16(2-3-17-9)11-10(12)4-8(13)5-15-11/h4-5,9,14H,2-3,6-7H2,1H3
InChIKeyVIGJNDWTGBOJMW-UHFFFAOYSA-N
MW320.62 g/mol
LogP1.92
Rot. Bonds3

About 1-[4-(3-bromo-5-chloro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine

1-[4-(3-bromo-5-chloro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine (PubChem CID 114836366) has the molecular formula C11H15BrClN3O and a molecular weight of 320.62 g/mol. Its IUPAC name is 1-[4-(3-bromo-5-chloro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3-bromo-5-chloro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine
PubChem CID114836366
Molecular FormulaC11H15BrClN3O
Molecular Weight320.62 g/mol
Exact Mass319.01
IUPAC Name1-[4-(3-bromo-5-chloro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine
SMILESCNCC1CN(c2ncc(Cl)cc2Br)CCO1
InChIInChI=1S/C11H15BrClN3O/c1-14-6-9-7-16(2-3-17-9)11-10(12)4-8(13)5-15-11/h4-5,9,14H,2-3,6-7H2,1H3
InChIKeyVIGJNDWTGBOJMW-UHFFFAOYSA-N
XLogP1.92
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.62
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromo-5-chloro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3-bromo-5-chloro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine (CID 114836366) is 1-[4-(3-bromo-5-chloro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3-bromo-5-chloro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3-bromo-5-chloro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine is CNCC1CN(c2ncc(Cl)cc2Br)CCO1.
What is the InChIKey of 1-[4-(3-bromo-5-chloro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine?
The InChIKey is VIGJNDWTGBOJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN3O/c1-14-6-9-7-16(2-3-17-9)11-10(12)4-8(13)5-15-11/h4-5,9,14H,2-3,6-7H2,1H3.
What are the key properties of 1-[4-(3-bromo-5-chloro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine?
1-[4-(3-bromo-5-chloro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine has a molecular weight of 320.62 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-bromo-5-chloro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 114836366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).