2-chloro-6-methyl-3-nitropyridine

C6H5ClN2O2 — CID 1268230

IUPAC2-chloro-6-methyl-3-nitropyridine
SMILESCc1ccc([N+](=O)[O-])c(Cl)n1
InChIInChI=1S/C6H5ClN2O2/c1-4-2-3-5(9(10)11)6(7)8-4/h2-3H,1H3
InChIKeyUIEVSGOVFXWCIK-UHFFFAOYSA-N
MW172.57 g/mol
LogP1.95
Rot. Bonds1

About 2-chloro-6-methyl-3-nitropyridine

2-chloro-6-methyl-3-nitropyridine (PubChem CID 1268230) has the molecular formula C6H5ClN2O2 and a molecular weight of 172.57 g/mol. Its IUPAC name is 2-chloro-6-methyl-3-nitropyridine.

Molecular Properties

Compound Name2-chloro-6-methyl-3-nitropyridine
PubChem CID1268230
Molecular FormulaC6H5ClN2O2
Molecular Weight172.57 g/mol
Exact Mass172.00
IUPAC Name2-chloro-6-methyl-3-nitropyridine
SMILESCc1ccc([N+](=O)[O-])c(Cl)n1
InChIInChI=1S/C6H5ClN2O2/c1-4-2-3-5(9(10)11)6(7)8-4/h2-3H,1H3
InChIKeyUIEVSGOVFXWCIK-UHFFFAOYSA-N
XLogP1.95
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.57
LogP ≤ 51.95
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 2-chloro-6-methyl-3-nitropyridine?
The IUPAC name of 2-chloro-6-methyl-3-nitropyridine (CID 1268230) is 2-chloro-6-methyl-3-nitropyridine.
What is the SMILES notation for 2-chloro-6-methyl-3-nitropyridine?
The canonical SMILES for 2-chloro-6-methyl-3-nitropyridine is Cc1ccc([N+](=O)[O-])c(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-3-nitropyridine?
The InChIKey is UIEVSGOVFXWCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O2/c1-4-2-3-5(9(10)11)6(7)8-4/h2-3H,1H3.
What are the key properties of 2-chloro-6-methyl-3-nitropyridine?
2-chloro-6-methyl-3-nitropyridine has a molecular weight of 172.57 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-3-nitropyridine is sourced from PubChem (CID 1268230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).