5-nitro-6-phenylmethoxypyridine-2-carboxylic acid

C13H10N2O5 — CID 22565263

IUPAC5-nitro-6-phenylmethoxypyridine-2-carboxylic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1
InChIInChI=1S/C13H10N2O5/c16-13(17)10-6-7-11(15(18)19)12(14-10)20-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,17)
InChIKeyPHKLKEKFKXTMOR-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.27
Rot. Bonds5

About 5-nitro-6-phenylmethoxypyridine-2-carboxylic acid

5-nitro-6-phenylmethoxypyridine-2-carboxylic acid (PubChem CID 22565263) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is 5-nitro-6-phenylmethoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-nitro-6-phenylmethoxypyridine-2-carboxylic acid
PubChem CID22565263
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name5-nitro-6-phenylmethoxypyridine-2-carboxylic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1
InChIInChI=1S/C13H10N2O5/c16-13(17)10-6-7-11(15(18)19)12(14-10)20-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,17)
InChIKeyPHKLKEKFKXTMOR-UHFFFAOYSA-N
XLogP2.27
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

6-[(3-chlorophenyl)methoxy]-5-nitropyridine-2-carboxylic acid
CID 114403301
6-ethoxy-5-nitropyridine-2-carboxylic acid
CID 114403118
5,6-bis(phenylmethoxy)pyridine-2-carboxylic acid
CID 166479827
5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
CID 114403116
6-heptoxy-5-nitropyridine-2-carboxylic acid
CID 114403198
6-(3-methylbutoxy)-5-nitropyridine-2-carboxylic acid
CID 114403164
5-nitro-6-phenylmethoxy-N-propylpyridin-2-amine
CID 80845026
6-[4-(hydroxymethyl)phenoxy]-5-nitropyridine-2-carboxylic acid
CID 114403255
6-(3-aminopropoxy)-N-[2-(3-aminopropoxy)-6-methyl-3-pyridinyl]-5-[(5-nitro-6-phenylmethoxypyridine-2-carbonyl)amino]pyridine-2-carboxamide
CID 135131997
6-(dibenzylamino)-5-nitropyridine-2-carboxylic acid
CID 67420399
6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitropyridine-2-carboxylic acid
CID 102739947
2-[[6-methoxycarbonyl-3-[[5-[(5-nitro-6-phenylmethoxypyridine-2-carbonyl)amino]-6-propan-2-yloxypyridine-2-carbonyl]amino]-2-pyridinyl]oxy]acetic acid
CID 135132054

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-phenylmethoxypyridine-2-carboxylic acid?
The IUPAC name of 5-nitro-6-phenylmethoxypyridine-2-carboxylic acid (CID 22565263) is 5-nitro-6-phenylmethoxypyridine-2-carboxylic acid.
What is the SMILES notation for 5-nitro-6-phenylmethoxypyridine-2-carboxylic acid?
The canonical SMILES for 5-nitro-6-phenylmethoxypyridine-2-carboxylic acid is O=C(O)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1.
What is the InChIKey of 5-nitro-6-phenylmethoxypyridine-2-carboxylic acid?
The InChIKey is PHKLKEKFKXTMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c16-13(17)10-6-7-11(15(18)19)12(14-10)20-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,17).
What are the key properties of 5-nitro-6-phenylmethoxypyridine-2-carboxylic acid?
5-nitro-6-phenylmethoxypyridine-2-carboxylic acid has a molecular weight of 274.23 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-phenylmethoxypyridine-2-carboxylic acid is sourced from PubChem (CID 22565263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).