4-[(2-nitro-3-pyridinyl)oxymethyl]pyrimidine-5-carboxylic acid

C11H8N4O5 — CID 102973568

IUPAC4-[(2-nitro-3-pyridinyl)oxymethyl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1COc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C11H8N4O5/c16-11(17)7-4-12-6-14-8(7)5-20-9-2-1-3-13-10(9)15(18)19/h1-4,6H,5H2,(H,16,17)
InChIKeyFZWFZRCSNKPIHW-UHFFFAOYSA-N
MW276.21 g/mol
LogP1.06
Rot. Bonds5

About 4-[(2-nitro-3-pyridinyl)oxymethyl]pyrimidine-5-carboxylic acid

4-[(2-nitro-3-pyridinyl)oxymethyl]pyrimidine-5-carboxylic acid (PubChem CID 102973568) has the molecular formula C11H8N4O5 and a molecular weight of 276.21 g/mol. Its IUPAC name is 4-[(2-nitro-3-pyridinyl)oxymethyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[(2-nitro-3-pyridinyl)oxymethyl]pyrimidine-5-carboxylic acid
PubChem CID102973568
Molecular FormulaC11H8N4O5
Molecular Weight276.21 g/mol
Exact Mass276.05
IUPAC Name4-[(2-nitro-3-pyridinyl)oxymethyl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1COc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C11H8N4O5/c16-11(17)7-4-12-6-14-8(7)5-20-9-2-1-3-13-10(9)15(18)19/h1-4,6H,5H2,(H,16,17)
InChIKeyFZWFZRCSNKPIHW-UHFFFAOYSA-N
XLogP1.06
TPSA128.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 4-[(2-nitro-3-pyridinyl)oxymethyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[(2-nitro-3-pyridinyl)oxymethyl]pyrimidine-5-carboxylic acid (CID 102973568) is 4-[(2-nitro-3-pyridinyl)oxymethyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[(2-nitro-3-pyridinyl)oxymethyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[(2-nitro-3-pyridinyl)oxymethyl]pyrimidine-5-carboxylic acid is O=C(O)c1cncnc1COc1cccnc1[N+](=O)[O-].
What is the InChIKey of 4-[(2-nitro-3-pyridinyl)oxymethyl]pyrimidine-5-carboxylic acid?
The InChIKey is FZWFZRCSNKPIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O5/c16-11(17)7-4-12-6-14-8(7)5-20-9-2-1-3-13-10(9)15(18)19/h1-4,6H,5H2,(H,16,17).
What are the key properties of 4-[(2-nitro-3-pyridinyl)oxymethyl]pyrimidine-5-carboxylic acid?
4-[(2-nitro-3-pyridinyl)oxymethyl]pyrimidine-5-carboxylic acid has a molecular weight of 276.21 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-nitro-3-pyridinyl)oxymethyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 102973568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).