2-[4-(5-nitro-2-pyridinyl)morpholin-2-yl]acetic acid

C11H13N3O5 — CID 66433050

IUPAC2-[4-(5-nitro-2-pyridinyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(c2ccc([N+](=O)[O-])cn2)CCO1
InChIInChI=1S/C11H13N3O5/c15-11(16)5-9-7-13(3-4-19-9)10-2-1-8(6-12-10)14(17)18/h1-2,6,9H,3-5,7H2,(H,15,16)
InChIKeyXSENLCVSNJIGDQ-UHFFFAOYSA-N
MW267.24 g/mol
LogP0.67
Rot. Bonds4

About 2-[4-(5-nitro-2-pyridinyl)morpholin-2-yl]acetic acid

2-[4-(5-nitro-2-pyridinyl)morpholin-2-yl]acetic acid (PubChem CID 66433050) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-[4-(5-nitro-2-pyridinyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-nitro-2-pyridinyl)morpholin-2-yl]acetic acid
PubChem CID66433050
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name2-[4-(5-nitro-2-pyridinyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(c2ccc([N+](=O)[O-])cn2)CCO1
InChIInChI=1S/C11H13N3O5/c15-11(16)5-9-7-13(3-4-19-9)10-2-1-8(6-12-10)14(17)18/h1-2,6,9H,3-5,7H2,(H,15,16)
InChIKeyXSENLCVSNJIGDQ-UHFFFAOYSA-N
XLogP0.67
TPSA105.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 50.67
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

2-[4-(5-methyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66433835
2-[4-(2-chloro-4-nitrophenyl)morpholin-2-yl]acetic acid
CID 66435372
2-[4-[(4-nitrophenyl)methyl]morpholin-2-yl]acetic acid
CID 66435040
[1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 62371884
2-[4-(3-cyano-4-nitrophenyl)morpholin-2-yl]acetic acid
CID 115499945
2-[4-(5-cyano-2-nitrophenyl)morpholin-2-yl]acetic acid
CID 104712992
[1-(5-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 2859766
2-(4-pyridin-4-ylmorpholin-2-yl)acetic acid
CID 66435959
(3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide
CID 30994170
2-[4-(6-carbamoyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66435001
2-[4-(6-ethoxypyrazin-2-yl)morpholin-2-yl]acetic acid
CID 66435962
2-[4-[(2-bromo-4-nitrophenyl)methyl]morpholin-2-yl]acetic acid
CID 66435837

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-nitro-2-pyridinyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(5-nitro-2-pyridinyl)morpholin-2-yl]acetic acid (CID 66433050) is 2-[4-(5-nitro-2-pyridinyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(5-nitro-2-pyridinyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(5-nitro-2-pyridinyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(c2ccc([N+](=O)[O-])cn2)CCO1.
What is the InChIKey of 2-[4-(5-nitro-2-pyridinyl)morpholin-2-yl]acetic acid?
The InChIKey is XSENLCVSNJIGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-11(16)5-9-7-13(3-4-19-9)10-2-1-8(6-12-10)14(17)18/h1-2,6,9H,3-5,7H2,(H,15,16).
What are the key properties of 2-[4-(5-nitro-2-pyridinyl)morpholin-2-yl]acetic acid?
2-[4-(5-nitro-2-pyridinyl)morpholin-2-yl]acetic acid has a molecular weight of 267.24 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-nitro-2-pyridinyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).