6-chloro-2,4-dimethyl-3-nitropyridine

C7H7ClN2O2 — CID 12744506

IUPAC6-chloro-2,4-dimethyl-3-nitropyridine
SMILESCc1cc(Cl)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C7H7ClN2O2/c1-4-3-6(8)9-5(2)7(4)10(11)12/h3H,1-2H3
InChIKeyMZJLDJKORNDTNV-UHFFFAOYSA-N
MW186.60 g/mol
LogP2.26
Rot. Bonds1

About 6-chloro-2,4-dimethyl-3-nitropyridine

6-chloro-2,4-dimethyl-3-nitropyridine (PubChem CID 12744506) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is 6-chloro-2,4-dimethyl-3-nitropyridine.

Molecular Properties

Compound Name6-chloro-2,4-dimethyl-3-nitropyridine
PubChem CID12744506
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name6-chloro-2,4-dimethyl-3-nitropyridine
SMILESCc1cc(Cl)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C7H7ClN2O2/c1-4-3-6(8)9-5(2)7(4)10(11)12/h3H,1-2H3
InChIKeyMZJLDJKORNDTNV-UHFFFAOYSA-N
XLogP2.26
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 52.26
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 6-chloro-2,4-dimethyl-3-nitropyridine?
The IUPAC name of 6-chloro-2,4-dimethyl-3-nitropyridine (CID 12744506) is 6-chloro-2,4-dimethyl-3-nitropyridine.
What is the SMILES notation for 6-chloro-2,4-dimethyl-3-nitropyridine?
The canonical SMILES for 6-chloro-2,4-dimethyl-3-nitropyridine is Cc1cc(Cl)nc(C)c1[N+](=O)[O-].
What is the InChIKey of 6-chloro-2,4-dimethyl-3-nitropyridine?
The InChIKey is MZJLDJKORNDTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c1-4-3-6(8)9-5(2)7(4)10(11)12/h3H,1-2H3.
What are the key properties of 6-chloro-2,4-dimethyl-3-nitropyridine?
6-chloro-2,4-dimethyl-3-nitropyridine has a molecular weight of 186.60 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,4-dimethyl-3-nitropyridine is sourced from PubChem (CID 12744506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).