1-(2,4-dinitrophenyl)pyridin-1-ium-4-carboxamide;hydrochloride

C12H10ClN4O5+ — CID 86761100

IUPAC1-(2,4-dinitrophenyl)pyridin-1-ium-4-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cc[n+](-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
InChIInChI=1S/C12H8N4O5.ClH/c13-12(17)8-3-5-14(6-4-8)10-2-1-9(15(18)19)7-11(10)16(20)21;/h1-7H,(H-,13,17);1H/p+1
InChIKeyHIOBFQOMFBWKAT-UHFFFAOYSA-O
MW325.69 g/mol
LogP1.30
Rot. Bonds4

About 1-(2,4-dinitrophenyl)pyridin-1-ium-4-carboxamide;hydrochloride

1-(2,4-dinitrophenyl)pyridin-1-ium-4-carboxamide;hydrochloride (PubChem CID 86761100) has the molecular formula C12H10ClN4O5+ and a molecular weight of 325.69 g/mol. Its IUPAC name is 1-(2,4-dinitrophenyl)pyridin-1-ium-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2,4-dinitrophenyl)pyridin-1-ium-4-carboxamide;hydrochloride
PubChem CID86761100
Molecular FormulaC12H10ClN4O5+
Molecular Weight325.69 g/mol
Exact Mass325.03
IUPAC Name1-(2,4-dinitrophenyl)pyridin-1-ium-4-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cc[n+](-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
InChIInChI=1S/C12H8N4O5.ClH/c13-12(17)8-3-5-14(6-4-8)10-2-1-9(15(18)19)7-11(10)16(20)21;/h1-7H,(H-,13,17);1H/p+1
InChIKeyHIOBFQOMFBWKAT-UHFFFAOYSA-O
XLogP1.30
TPSA133.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.69
LogP ≤ 51.30
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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(4-nitrophenyl)-(3-nitro-4-pyridin-1-ium-1-ylphenyl)methanone
CID 4915822
4-[4-[1-(2-amino-4-nitrophenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-3-nitroaniline
CID 144970218
1-(2,4-dinitrophenyl)-4-methoxypyridin-1-ium-3-sulfonamide
CID 139216729
1-(2,4-dinitrophenyl)-4-methylpyridin-1-ium;2-nitrophenolate
CID 11058408
4-[1-(2,4-dinitrophenyl)pyridin-1-ium-4-yl]-1-methylpyridin-1-ium;1-methyl-4-pyridin-4-ylpyridin-1-ium;trichloride
CID 158426643
1-(2,4-dinitrophenyl)-4-[4-[1-(2,4-dinitrophenyl)pyridin-1-ium-4-yl]phenyl]pyridin-1-ium;bis(4-methylbenzenesulfonate)
CID 140885425
3,5-dinitrobenzamide;hydrochloride
CID 172864761
(3E,5Z,9Z,11E)-1,7-bis(2,4-dinitrophenyl)-1,7-diazoniacyclododeca-1,3,5,7,9,11-hexaene
CID 101412719
N-[(Z)-3-[1-(2,4-dinitrophenyl)pyridin-1-ium-4-yl]prop-1-enyl]ethanimine
CID 144980113
2,4-dinitroaniline;sulfuric acid
CID 174852217
1-(2,4-dinitrophenyl)-3-(4-methylphenyl)imidazol-1-ium
CID 102578253
4-(4-nitroanilino)benzamide
CID 11265357

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dinitrophenyl)pyridin-1-ium-4-carboxamide;hydrochloride?
The IUPAC name of 1-(2,4-dinitrophenyl)pyridin-1-ium-4-carboxamide;hydrochloride (CID 86761100) is 1-(2,4-dinitrophenyl)pyridin-1-ium-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2,4-dinitrophenyl)pyridin-1-ium-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(2,4-dinitrophenyl)pyridin-1-ium-4-carboxamide;hydrochloride is Cl.NC(=O)c1cc[n+](-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1.
What is the InChIKey of 1-(2,4-dinitrophenyl)pyridin-1-ium-4-carboxamide;hydrochloride?
The InChIKey is HIOBFQOMFBWKAT-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H8N4O5.ClH/c13-12(17)8-3-5-14(6-4-8)10-2-1-9(15(18)19)7-11(10)16(20)21;/h1-7H,(H-,13,17);1H/p+1.
What are the key properties of 1-(2,4-dinitrophenyl)pyridin-1-ium-4-carboxamide;hydrochloride?
1-(2,4-dinitrophenyl)pyridin-1-ium-4-carboxamide;hydrochloride has a molecular weight of 325.69 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dinitrophenyl)pyridin-1-ium-4-carboxamide;hydrochloride is sourced from PubChem (CID 86761100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).