5-(3-methyl-5-nitroimidazol-4-yl)oxypyridine-3-carboxylic acid

C10H8N4O5 — CID 63852590

IUPAC5-(3-methyl-5-nitroimidazol-4-yl)oxypyridine-3-carboxylic acid
SMILESCn1cnc([N+](=O)[O-])c1Oc1cncc(C(=O)O)c1
InChIInChI=1S/C10H8N4O5/c1-13-5-12-8(14(17)18)9(13)19-7-2-6(10(15)16)3-11-4-7/h2-5H,1H3,(H,15,16)
InChIKeyXADWFWDYGBHAKR-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.21
Rot. Bonds4

About 5-(3-methyl-5-nitroimidazol-4-yl)oxypyridine-3-carboxylic acid

5-(3-methyl-5-nitroimidazol-4-yl)oxypyridine-3-carboxylic acid (PubChem CID 63852590) has the molecular formula C10H8N4O5 and a molecular weight of 264.20 g/mol. Its IUPAC name is 5-(3-methyl-5-nitroimidazol-4-yl)oxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-methyl-5-nitroimidazol-4-yl)oxypyridine-3-carboxylic acid
PubChem CID63852590
Molecular FormulaC10H8N4O5
Molecular Weight264.20 g/mol
Exact Mass264.05
IUPAC Name5-(3-methyl-5-nitroimidazol-4-yl)oxypyridine-3-carboxylic acid
SMILESCn1cnc([N+](=O)[O-])c1Oc1cncc(C(=O)O)c1
InChIInChI=1S/C10H8N4O5/c1-13-5-12-8(14(17)18)9(13)19-7-2-6(10(15)16)3-11-4-7/h2-5H,1H3,(H,15,16)
InChIKeyXADWFWDYGBHAKR-UHFFFAOYSA-N
XLogP1.21
TPSA120.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.21
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'}

Analyze 5-(3-methyl-5-nitroimidazol-4-yl)oxypyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-4-(3-methyl-5-nitroimidazol-4-yl)oxybenzoic acid
CID 61395625
5-(1-methyl-4-nitropyrazol-3-yl)oxypyridine-3-carboxylic acid
CID 103080470
2-[3-(3-methyl-5-nitroimidazol-4-yl)oxyphenyl]acetic acid
CID 61397980
5-chloro-2-(3-methyl-5-nitroimidazol-4-yl)oxybenzoic acid
CID 61395703
1-methyl-4-nitro-5-(4-propan-2-ylphenoxy)imidazole
CID 18095594
5-(3-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
CID 63851888
5-(4-chloro-3-methylphenoxy)-1-methyl-4-nitroimidazole
CID 18095134
2-fluoro-6-(3-methyl-5-nitroimidazol-4-yl)oxybenzoic acid
CID 107016419
O-(3-methyl-5-nitroimidazol-4-yl)hydroxylamine
CID 79420788
5-(5-chloro-2-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
CID 115556226
5-(4-fluoro-2-nitrophenoxy)pyridine-3-carboxylic acid
CID 63850359
5-(4-bromo-2-nitrophenoxy)pyridine-3-carboxylic acid
CID 63852232

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-5-nitroimidazol-4-yl)oxypyridine-3-carboxylic acid?
The IUPAC name of 5-(3-methyl-5-nitroimidazol-4-yl)oxypyridine-3-carboxylic acid (CID 63852590) is 5-(3-methyl-5-nitroimidazol-4-yl)oxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-(3-methyl-5-nitroimidazol-4-yl)oxypyridine-3-carboxylic acid?
The canonical SMILES for 5-(3-methyl-5-nitroimidazol-4-yl)oxypyridine-3-carboxylic acid is Cn1cnc([N+](=O)[O-])c1Oc1cncc(C(=O)O)c1.
What is the InChIKey of 5-(3-methyl-5-nitroimidazol-4-yl)oxypyridine-3-carboxylic acid?
The InChIKey is XADWFWDYGBHAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O5/c1-13-5-12-8(14(17)18)9(13)19-7-2-6(10(15)16)3-11-4-7/h2-5H,1H3,(H,15,16).
What are the key properties of 5-(3-methyl-5-nitroimidazol-4-yl)oxypyridine-3-carboxylic acid?
5-(3-methyl-5-nitroimidazol-4-yl)oxypyridine-3-carboxylic acid has a molecular weight of 264.20 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-5-nitroimidazol-4-yl)oxypyridine-3-carboxylic acid is sourced from PubChem (CID 63852590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).