2,6-dichloro-4-methyl-5-nitropyridine-3-carboxylic acid

C7H4Cl2N2O4 — CID 71414970

IUPAC2,6-dichloro-4-methyl-5-nitropyridine-3-carboxylic acid
SMILESCc1c(C(=O)O)c(Cl)nc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C7H4Cl2N2O4/c1-2-3(7(12)13)5(8)10-6(9)4(2)11(14)15/h1H3,(H,12,13)
InChIKeyFTTSURAYZAWFII-UHFFFAOYSA-N
MW251.02 g/mol
LogP2.30
Rot. Bonds2

About 2,6-dichloro-4-methyl-5-nitropyridine-3-carboxylic acid

2,6-dichloro-4-methyl-5-nitropyridine-3-carboxylic acid (PubChem CID 71414970) has the molecular formula C7H4Cl2N2O4 and a molecular weight of 251.02 g/mol. Its IUPAC name is 2,6-dichloro-4-methyl-5-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,6-dichloro-4-methyl-5-nitropyridine-3-carboxylic acid
PubChem CID71414970
Molecular FormulaC7H4Cl2N2O4
Molecular Weight251.02 g/mol
Exact Mass249.95
IUPAC Name2,6-dichloro-4-methyl-5-nitropyridine-3-carboxylic acid
SMILESCc1c(C(=O)O)c(Cl)nc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C7H4Cl2N2O4/c1-2-3(7(12)13)5(8)10-6(9)4(2)11(14)15/h1H3,(H,12,13)
InChIKeyFTTSURAYZAWFII-UHFFFAOYSA-N
XLogP2.30
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.02
LogP ≤ 52.30
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 2,6-dichloro-4-methyl-5-nitropyridine-3-carboxylic acid?
The IUPAC name of 2,6-dichloro-4-methyl-5-nitropyridine-3-carboxylic acid (CID 71414970) is 2,6-dichloro-4-methyl-5-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 2,6-dichloro-4-methyl-5-nitropyridine-3-carboxylic acid?
The canonical SMILES for 2,6-dichloro-4-methyl-5-nitropyridine-3-carboxylic acid is Cc1c(C(=O)O)c(Cl)nc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 2,6-dichloro-4-methyl-5-nitropyridine-3-carboxylic acid?
The InChIKey is FTTSURAYZAWFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2O4/c1-2-3(7(12)13)5(8)10-6(9)4(2)11(14)15/h1H3,(H,12,13).
What are the key properties of 2,6-dichloro-4-methyl-5-nitropyridine-3-carboxylic acid?
2,6-dichloro-4-methyl-5-nitropyridine-3-carboxylic acid has a molecular weight of 251.02 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-methyl-5-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 71414970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).