4,6-dichloro-2-methyl-3-nitropyridine

C6H4Cl2N2O2 — CID 4269500

IUPAC4,6-dichloro-2-methyl-3-nitropyridine
SMILESCc1nc(Cl)cc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C6H4Cl2N2O2/c1-3-6(10(11)12)4(7)2-5(8)9-3/h2H,1H3
InChIKeyQLHLRJUPEKKBBN-UHFFFAOYSA-N
MW207.02 g/mol
LogP2.61
Rot. Bonds1

About 4,6-dichloro-2-methyl-3-nitropyridine

4,6-dichloro-2-methyl-3-nitropyridine (PubChem CID 4269500) has the molecular formula C6H4Cl2N2O2 and a molecular weight of 207.02 g/mol. Its IUPAC name is 4,6-dichloro-2-methyl-3-nitropyridine.

Molecular Properties

Compound Name4,6-dichloro-2-methyl-3-nitropyridine
PubChem CID4269500
Molecular FormulaC6H4Cl2N2O2
Molecular Weight207.02 g/mol
Exact Mass205.96
IUPAC Name4,6-dichloro-2-methyl-3-nitropyridine
SMILESCc1nc(Cl)cc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C6H4Cl2N2O2/c1-3-6(10(11)12)4(7)2-5(8)9-3/h2H,1H3
InChIKeyQLHLRJUPEKKBBN-UHFFFAOYSA-N
XLogP2.61
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.02
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4,6-dichloro-2-methyl-3-nitropyridine?
The IUPAC name of 4,6-dichloro-2-methyl-3-nitropyridine (CID 4269500) is 4,6-dichloro-2-methyl-3-nitropyridine.
What is the SMILES notation for 4,6-dichloro-2-methyl-3-nitropyridine?
The canonical SMILES for 4,6-dichloro-2-methyl-3-nitropyridine is Cc1nc(Cl)cc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 4,6-dichloro-2-methyl-3-nitropyridine?
The InChIKey is QLHLRJUPEKKBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N2O2/c1-3-6(10(11)12)4(7)2-5(8)9-3/h2H,1H3.
What are the key properties of 4,6-dichloro-2-methyl-3-nitropyridine?
4,6-dichloro-2-methyl-3-nitropyridine has a molecular weight of 207.02 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-methyl-3-nitropyridine is sourced from PubChem (CID 4269500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).