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

C11H15BrN4O3 — CID 103519667

IUPAC1-[4-(3-bromo-5-nitro-4-pyridinyl)morpholin-2-yl]-N-methylmethanamine
SMILESCNCC1CN(c2c(Br)cncc2[N+](=O)[O-])CCO1
InChIInChI=1S/C11H15BrN4O3/c1-13-4-8-7-15(2-3-19-8)11-9(12)5-14-6-10(11)16(17)18/h5-6,8,13H,2-4,7H2,1H3
InChIKeyNNMIOJNJWDLKSH-UHFFFAOYSA-N
MW331.17 g/mol
LogP1.18
Rot. Bonds4

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

1-[4-(3-bromo-5-nitro-4-pyridinyl)morpholin-2-yl]-N-methylmethanamine (PubChem CID 103519667) has the molecular formula C11H15BrN4O3 and a molecular weight of 331.17 g/mol. Its IUPAC name is 1-[4-(3-bromo-5-nitro-4-pyridinyl)morpholin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3-bromo-5-nitro-4-pyridinyl)morpholin-2-yl]-N-methylmethanamine
PubChem CID103519667
Molecular FormulaC11H15BrN4O3
Molecular Weight331.17 g/mol
Exact Mass330.03
IUPAC Name1-[4-(3-bromo-5-nitro-4-pyridinyl)morpholin-2-yl]-N-methylmethanamine
SMILESCNCC1CN(c2c(Br)cncc2[N+](=O)[O-])CCO1
InChIInChI=1S/C11H15BrN4O3/c1-13-4-8-7-15(2-3-19-8)11-9(12)5-14-6-10(11)16(17)18/h5-6,8,13H,2-4,7H2,1H3
InChIKeyNNMIOJNJWDLKSH-UHFFFAOYSA-N
XLogP1.18
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-chloro-5-nitro-4-pyridinyl)-2-(methoxymethyl)morpholine
CID 122140967
1-[4-(6-methoxy-3-nitro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine
CID 115323324
3-(3-bromo-5-nitro-4-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane
CID 103519680
1-[4-(3-bromo-5-chloro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine
CID 114836366
[4-(3-nitro-4-pyridinyl)morpholin-2-yl]methanamine
CID 114399426
1-[1-(3-bromo-5-nitro-4-pyridinyl)piperidin-3-yl]azepane
CID 133454489
1-[4-(2-bromo-4-methylphenyl)morpholin-2-yl]-N-methylmethanamine
CID 82308310
4-bromo-5-[2-(methylaminomethyl)morpholin-4-yl]-2-propan-2-ylpyridazin-3-one
CID 114446623
2-[1-(3-bromo-5-nitro-4-pyridinyl)piperidin-3-yl]acetic acid
CID 103518924
3-[1-(3-bromo-5-nitro-4-pyridinyl)piperidin-3-yl]propanoic acid
CID 103518914
2-[[1-(3-bromo-5-nitro-4-pyridinyl)piperidin-4-yl]-methylamino]ethanol
CID 133437585
3-bromo-4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-nitropyridine
CID 133453573

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromo-5-nitro-4-pyridinyl)morpholin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3-bromo-5-nitro-4-pyridinyl)morpholin-2-yl]-N-methylmethanamine (CID 103519667) is 1-[4-(3-bromo-5-nitro-4-pyridinyl)morpholin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3-bromo-5-nitro-4-pyridinyl)morpholin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3-bromo-5-nitro-4-pyridinyl)morpholin-2-yl]-N-methylmethanamine is CNCC1CN(c2c(Br)cncc2[N+](=O)[O-])CCO1.
What is the InChIKey of 1-[4-(3-bromo-5-nitro-4-pyridinyl)morpholin-2-yl]-N-methylmethanamine?
The InChIKey is NNMIOJNJWDLKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O3/c1-13-4-8-7-15(2-3-19-8)11-9(12)5-14-6-10(11)16(17)18/h5-6,8,13H,2-4,7H2,1H3.
What are the key properties of 1-[4-(3-bromo-5-nitro-4-pyridinyl)morpholin-2-yl]-N-methylmethanamine?
1-[4-(3-bromo-5-nitro-4-pyridinyl)morpholin-2-yl]-N-methylmethanamine has a molecular weight of 331.17 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-bromo-5-nitro-4-pyridinyl)morpholin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 103519667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).