4-nitro-2-(pyridine-3-carbonylamino)phenolate

C12H8N3O4- — CID 6946227

IUPAC4-nitro-2-(pyridine-3-carbonylamino)phenolate
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccnc1
InChIInChI=1S/C12H9N3O4/c16-11-4-3-9(15(18)19)6-10(11)14-12(17)8-2-1-5-13-7-8/h1-7,16H,(H,14,17)/p-1
InChIKeyRGAZWCGMJBFXHZ-UHFFFAOYSA-M
MW258.21 g/mol
LogP1.32
Rot. Bonds3

About 4-nitro-2-(pyridine-3-carbonylamino)phenolate

4-nitro-2-(pyridine-3-carbonylamino)phenolate (PubChem CID 6946227) has the molecular formula C12H8N3O4- and a molecular weight of 258.21 g/mol. Its IUPAC name is 4-nitro-2-(pyridine-3-carbonylamino)phenolate.

Molecular Properties

Compound Name4-nitro-2-(pyridine-3-carbonylamino)phenolate
PubChem CID6946227
Molecular FormulaC12H8N3O4-
Molecular Weight258.21 g/mol
Exact Mass258.05
IUPAC Name4-nitro-2-(pyridine-3-carbonylamino)phenolate
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccnc1
InChIInChI=1S/C12H9N3O4/c16-11-4-3-9(15(18)19)6-10(11)14-12(17)8-2-1-5-13-7-8/h1-7,16H,(H,14,17)/p-1
InChIKeyRGAZWCGMJBFXHZ-UHFFFAOYSA-M
XLogP1.32
TPSA108.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 51.32
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

N-(2-chloro-4-nitrophenyl)pyridine-3-carboxamide
CID 2850411
N-(2,6-dimethyl-4-nitrophenyl)pyridine-3-carboxamide
CID 50880463
N'-(2-iodo-5-nitrobenzoyl)pyridine-3-carbohydrazide
CID 15547621
N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 693354
N-[3-[(2-chloro-4-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188695
(2-iodo-5-nitrophenyl)-pyridin-3-ylmethanone
CID 134638297
N-[2-(4-nitrophenyl)ethyl]pyridine-3-carboxamide
CID 110294457
N-[(2-fluoro-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 830822
N-[3-[(3-nitrophenyl)carbamoyl]thiophen-2-yl]pyridine-3-carboxamide
CID 2971157
4-nitro-2-(pyridine-4-carbonylamino)benzoic acid
CID 63111000
N-[(Z)-1-(2-hydroxy-5-nitrophenyl)ethylideneamino]pyridine-3-carboxamide
CID 136698137
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413357

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-(pyridine-3-carbonylamino)phenolate?
The IUPAC name of 4-nitro-2-(pyridine-3-carbonylamino)phenolate (CID 6946227) is 4-nitro-2-(pyridine-3-carbonylamino)phenolate.
What is the SMILES notation for 4-nitro-2-(pyridine-3-carbonylamino)phenolate?
The canonical SMILES for 4-nitro-2-(pyridine-3-carbonylamino)phenolate is O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccnc1.
What is the InChIKey of 4-nitro-2-(pyridine-3-carbonylamino)phenolate?
The InChIKey is RGAZWCGMJBFXHZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H9N3O4/c16-11-4-3-9(15(18)19)6-10(11)14-12(17)8-2-1-5-13-7-8/h1-7,16H,(H,14,17)/p-1.
What are the key properties of 4-nitro-2-(pyridine-3-carbonylamino)phenolate?
4-nitro-2-(pyridine-3-carbonylamino)phenolate has a molecular weight of 258.21 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-(pyridine-3-carbonylamino)phenolate is sourced from PubChem (CID 6946227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).