N-[2-[(2-nitro-3-pyridinyl)oxymethyl]phenyl]formamide

C13H11N3O4 — CID 14368404

IUPACN-[2-[(2-nitro-3-pyridinyl)oxymethyl]phenyl]formamide
SMILESO=CNc1ccccc1COc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C13H11N3O4/c17-9-15-11-5-2-1-4-10(11)8-20-12-6-3-7-14-13(12)16(18)19/h1-7,9H,8H2,(H,15,17)
InChIKeyAGXZWRGHCFHKMD-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.14
Rot. Bonds6

About N-[2-[(2-nitro-3-pyridinyl)oxymethyl]phenyl]formamide

N-[2-[(2-nitro-3-pyridinyl)oxymethyl]phenyl]formamide (PubChem CID 14368404) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is N-[2-[(2-nitro-3-pyridinyl)oxymethyl]phenyl]formamide.

Molecular Properties

Compound NameN-[2-[(2-nitro-3-pyridinyl)oxymethyl]phenyl]formamide
PubChem CID14368404
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC NameN-[2-[(2-nitro-3-pyridinyl)oxymethyl]phenyl]formamide
SMILESO=CNc1ccccc1COc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C13H11N3O4/c17-9-15-11-5-2-1-4-10(11)8-20-12-6-3-7-14-13(12)16(18)19/h1-7,9H,8H2,(H,15,17)
InChIKeyAGXZWRGHCFHKMD-UHFFFAOYSA-N
XLogP2.14
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2-fluoro-3-nitrophenyl)methoxy]-2-nitropyridine
CID 107348669
3-methoxy-2-nitropyridine
CID 556063
3-(4-fluorophenyl)-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole
CID 40676082
4-fluoro-3-[(2-nitro-3-pyridinyl)oxymethyl]benzoic acid
CID 107451989
2-chloro-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole
CID 79764993
N-methyl-4-[(2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine
CID 62464959
3-(cyclopropylmethoxy)-2-nitropyridine
CID 90078181
4-[(2-nitro-3-pyridinyl)oxymethyl]-N-phenylbenzamide
CID 40662450
N-[(2-fluorophenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 8650969
3-[[1-(bromomethyl)cyclobutyl]methoxy]-2-nitropyridine
CID 65007945
4-[(2-nitro-3-pyridinyl)oxymethyl]benzamide
CID 27351276
N-(cyclopropylmethyl)-2-nitropyridin-3-amine
CID 119030468

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-nitro-3-pyridinyl)oxymethyl]phenyl]formamide?
The IUPAC name of N-[2-[(2-nitro-3-pyridinyl)oxymethyl]phenyl]formamide (CID 14368404) is N-[2-[(2-nitro-3-pyridinyl)oxymethyl]phenyl]formamide.
What is the SMILES notation for N-[2-[(2-nitro-3-pyridinyl)oxymethyl]phenyl]formamide?
The canonical SMILES for N-[2-[(2-nitro-3-pyridinyl)oxymethyl]phenyl]formamide is O=CNc1ccccc1COc1cccnc1[N+](=O)[O-].
What is the InChIKey of N-[2-[(2-nitro-3-pyridinyl)oxymethyl]phenyl]formamide?
The InChIKey is AGXZWRGHCFHKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c17-9-15-11-5-2-1-4-10(11)8-20-12-6-3-7-14-13(12)16(18)19/h1-7,9H,8H2,(H,15,17).
What are the key properties of N-[2-[(2-nitro-3-pyridinyl)oxymethyl]phenyl]formamide?
N-[2-[(2-nitro-3-pyridinyl)oxymethyl]phenyl]formamide has a molecular weight of 273.25 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-nitro-3-pyridinyl)oxymethyl]phenyl]formamide is sourced from PubChem (CID 14368404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).