4-(3-chloro-5-nitro-4-pyridinyl)-2-(methoxymethyl)morpholine

C11H14ClN3O4 — CID 122140967

IUPAC4-(3-chloro-5-nitro-4-pyridinyl)-2-(methoxymethyl)morpholine
SMILESCOCC1CN(c2c(Cl)cncc2[N+](=O)[O-])CCO1
InChIInChI=1S/C11H14ClN3O4/c1-18-7-8-6-14(2-3-19-8)11-9(12)4-13-5-10(11)15(16)17/h4-5,8H,2-3,6-7H2,1H3
InChIKeyGIQKWZZKCWWCFA-UHFFFAOYSA-N
MW287.70 g/mol
LogP1.49
Rot. Bonds4

About 4-(3-chloro-5-nitro-4-pyridinyl)-2-(methoxymethyl)morpholine

4-(3-chloro-5-nitro-4-pyridinyl)-2-(methoxymethyl)morpholine (PubChem CID 122140967) has the molecular formula C11H14ClN3O4 and a molecular weight of 287.70 g/mol. Its IUPAC name is 4-(3-chloro-5-nitro-4-pyridinyl)-2-(methoxymethyl)morpholine.

Molecular Properties

Compound Name4-(3-chloro-5-nitro-4-pyridinyl)-2-(methoxymethyl)morpholine
PubChem CID122140967
Molecular FormulaC11H14ClN3O4
Molecular Weight287.70 g/mol
Exact Mass287.07
IUPAC Name4-(3-chloro-5-nitro-4-pyridinyl)-2-(methoxymethyl)morpholine
SMILESCOCC1CN(c2c(Cl)cncc2[N+](=O)[O-])CCO1
InChIInChI=1S/C11H14ClN3O4/c1-18-7-8-6-14(2-3-19-8)11-9(12)4-13-5-10(11)15(16)17/h4-5,8H,2-3,6-7H2,1H3
InChIKeyGIQKWZZKCWWCFA-UHFFFAOYSA-N
XLogP1.49
TPSA77.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 51.49
H-Bond Donors ≤ 50
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

1-[4-(3-bromo-5-nitro-4-pyridinyl)morpholin-2-yl]-N-methylmethanamine
CID 103519667
[3-[2-(methoxymethyl)morpholin-4-yl]-4-nitrophenyl]methanol
CID 133437883
4-(8-chloro-6-nitroquinazolin-4-yl)-2-(methoxymethyl)morpholine
CID 122140964
[4-(2,6-dichloro-4-nitrophenyl)morpholin-2-yl]methanol
CID 104917843
[4-(3-nitro-4-pyridinyl)morpholin-2-yl]methanamine
CID 114399426
methyl 2-[4-(2-methyl-6-nitrophenyl)morpholin-2-yl]acetate
CID 79764686
2-(methoxymethyl)-4-([1,3]thiazolo[5,4-d]pyrimidin-7-yl)morpholine
CID 122154681
[4-(2,3-difluoro-6-nitrophenyl)morpholin-2-yl]methanol
CID 81219753
4-(5-bromo-2-pyridinyl)-2-(methoxymethyl)morpholine
CID 71996193
[4-(2-nitrophenyl)morpholin-2-yl]methanol
CID 79839619
1-[4-(6-methoxy-3-nitro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine
CID 115323324
(2R)-2-(methoxymethyl)-4-(6-thiophen-2-ylpyrazin-2-yl)morpholine
CID 125143670

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-nitro-4-pyridinyl)-2-(methoxymethyl)morpholine?
The IUPAC name of 4-(3-chloro-5-nitro-4-pyridinyl)-2-(methoxymethyl)morpholine (CID 122140967) is 4-(3-chloro-5-nitro-4-pyridinyl)-2-(methoxymethyl)morpholine.
What is the SMILES notation for 4-(3-chloro-5-nitro-4-pyridinyl)-2-(methoxymethyl)morpholine?
The canonical SMILES for 4-(3-chloro-5-nitro-4-pyridinyl)-2-(methoxymethyl)morpholine is COCC1CN(c2c(Cl)cncc2[N+](=O)[O-])CCO1.
What is the InChIKey of 4-(3-chloro-5-nitro-4-pyridinyl)-2-(methoxymethyl)morpholine?
The InChIKey is GIQKWZZKCWWCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O4/c1-18-7-8-6-14(2-3-19-8)11-9(12)4-13-5-10(11)15(16)17/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 4-(3-chloro-5-nitro-4-pyridinyl)-2-(methoxymethyl)morpholine?
4-(3-chloro-5-nitro-4-pyridinyl)-2-(methoxymethyl)morpholine has a molecular weight of 287.70 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-nitro-4-pyridinyl)-2-(methoxymethyl)morpholine is sourced from PubChem (CID 122140967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).