N-[4-(hydroxymethyl)-2-pyridinyl]-3-nitrobenzamide

C13H11N3O4 — CID 82343569

IUPACN-[4-(hydroxymethyl)-2-pyridinyl]-3-nitrobenzamide
SMILESO=C(Nc1cc(CO)ccn1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H11N3O4/c17-8-9-4-5-14-12(6-9)15-13(18)10-2-1-3-11(7-10)16(19)20/h1-7,17H,8H2,(H,14,15,18)
InChIKeyLZJCVUSINPLXBH-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.73
Rot. Bonds4

About N-[4-(hydroxymethyl)-2-pyridinyl]-3-nitrobenzamide

N-[4-(hydroxymethyl)-2-pyridinyl]-3-nitrobenzamide (PubChem CID 82343569) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)-2-pyridinyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)-2-pyridinyl]-3-nitrobenzamide
PubChem CID82343569
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC NameN-[4-(hydroxymethyl)-2-pyridinyl]-3-nitrobenzamide
SMILESO=C(Nc1cc(CO)ccn1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H11N3O4/c17-8-9-4-5-14-12(6-9)15-13(18)10-2-1-3-11(7-10)16(19)20/h1-7,17H,8H2,(H,14,15,18)
InChIKeyLZJCVUSINPLXBH-UHFFFAOYSA-N
XLogP1.73
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.73
H-Bond Donors ≤ 52
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

3-bromo-N-(4-nitro-2-pyridinyl)benzamide
CID 3011463
3-nitro-N-(4-pyridazin-4-yloxy-2-pyridinyl)benzamide
CID 157043039
4-[(3-nitrobenzoyl)amino]pyridine-2-carboxylic acid
CID 63651069
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
4-chloro-N-(4-nitro-2-pyridinyl)benzamide
CID 3011452
N-(2,6-diethylphenyl)-3-nitrobenzamide
CID 731505
N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
CID 872142
N-(2,6-dichlorophenyl)-3-nitrobenzamide
CID 784701
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
5-nitro-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide
CID 3383086
3-nitro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544457
3-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 3807378

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)-2-pyridinyl]-3-nitrobenzamide?
The IUPAC name of N-[4-(hydroxymethyl)-2-pyridinyl]-3-nitrobenzamide (CID 82343569) is N-[4-(hydroxymethyl)-2-pyridinyl]-3-nitrobenzamide.
What is the SMILES notation for N-[4-(hydroxymethyl)-2-pyridinyl]-3-nitrobenzamide?
The canonical SMILES for N-[4-(hydroxymethyl)-2-pyridinyl]-3-nitrobenzamide is O=C(Nc1cc(CO)ccn1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[4-(hydroxymethyl)-2-pyridinyl]-3-nitrobenzamide?
The InChIKey is LZJCVUSINPLXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c17-8-9-4-5-14-12(6-9)15-13(18)10-2-1-3-11(7-10)16(19)20/h1-7,17H,8H2,(H,14,15,18).
What are the key properties of N-[4-(hydroxymethyl)-2-pyridinyl]-3-nitrobenzamide?
N-[4-(hydroxymethyl)-2-pyridinyl]-3-nitrobenzamide has a molecular weight of 273.25 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)-2-pyridinyl]-3-nitrobenzamide is sourced from PubChem (CID 82343569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).