2,4,6-trichloro-5-nitropyridine-3-carboxamide

C6H2Cl3N3O3 — CID 542095

IUPAC2,4,6-trichloro-5-nitropyridine-3-carboxamide
SMILESNC(=O)c1c(Cl)nc(Cl)c([N+](=O)[O-])c1Cl
InChIInChI=1S/C6H2Cl3N3O3/c7-2-1(6(10)13)4(8)11-5(9)3(2)12(14)15/h(H2,10,13)
InChIKeyVSBKCTCVTSOGCL-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.05
Rot. Bonds2

About 2,4,6-trichloro-5-nitropyridine-3-carboxamide

2,4,6-trichloro-5-nitropyridine-3-carboxamide (PubChem CID 542095) has the molecular formula C6H2Cl3N3O3 and a molecular weight of 270.46 g/mol. Its IUPAC name is 2,4,6-trichloro-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2,4,6-trichloro-5-nitropyridine-3-carboxamide
PubChem CID542095
Molecular FormulaC6H2Cl3N3O3
Molecular Weight270.46 g/mol
Exact Mass268.92
IUPAC Name2,4,6-trichloro-5-nitropyridine-3-carboxamide
SMILESNC(=O)c1c(Cl)nc(Cl)c([N+](=O)[O-])c1Cl
InChIInChI=1S/C6H2Cl3N3O3/c7-2-1(6(10)13)4(8)11-5(9)3(2)12(14)15/h(H2,10,13)
InChIKeyVSBKCTCVTSOGCL-UHFFFAOYSA-N
XLogP2.05
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-5-nitropyridine-3-carboxamide?
The IUPAC name of 2,4,6-trichloro-5-nitropyridine-3-carboxamide (CID 542095) is 2,4,6-trichloro-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2,4,6-trichloro-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2,4,6-trichloro-5-nitropyridine-3-carboxamide is NC(=O)c1c(Cl)nc(Cl)c([N+](=O)[O-])c1Cl.
What is the InChIKey of 2,4,6-trichloro-5-nitropyridine-3-carboxamide?
The InChIKey is VSBKCTCVTSOGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl3N3O3/c7-2-1(6(10)13)4(8)11-5(9)3(2)12(14)15/h(H2,10,13).
What are the key properties of 2,4,6-trichloro-5-nitropyridine-3-carboxamide?
2,4,6-trichloro-5-nitropyridine-3-carboxamide has a molecular weight of 270.46 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 542095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).