2,6-dichloro-4-methylpyridine-3-carboxylate

C7H4Cl2NO2- — CID 4062420

IUPAC2,6-dichloro-4-methylpyridine-3-carboxylate
SMILESCc1cc(Cl)nc(Cl)c1C(=O)[O-]
InChIInChI=1S/C7H5Cl2NO2/c1-3-2-4(8)10-6(9)5(3)7(11)12/h2H,1H3,(H,11,12)/p-1
InChIKeyQOSNTWMXACGOMD-UHFFFAOYSA-M
MW205.02 g/mol
LogP1.06
Rot. Bonds1

About 2,6-dichloro-4-methylpyridine-3-carboxylate

2,6-dichloro-4-methylpyridine-3-carboxylate (PubChem CID 4062420) has the molecular formula C7H4Cl2NO2- and a molecular weight of 205.02 g/mol. Its IUPAC name is 2,6-dichloro-4-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name2,6-dichloro-4-methylpyridine-3-carboxylate
PubChem CID4062420
Molecular FormulaC7H4Cl2NO2-
Molecular Weight205.02 g/mol
Exact Mass203.96
IUPAC Name2,6-dichloro-4-methylpyridine-3-carboxylate
SMILESCc1cc(Cl)nc(Cl)c1C(=O)[O-]
InChIInChI=1S/C7H5Cl2NO2/c1-3-2-4(8)10-6(9)5(3)7(11)12/h2H,1H3,(H,11,12)/p-1
InChIKeyQOSNTWMXACGOMD-UHFFFAOYSA-M
XLogP1.06
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.02
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-methylpyridine-3-carboxylate?
The IUPAC name of 2,6-dichloro-4-methylpyridine-3-carboxylate (CID 4062420) is 2,6-dichloro-4-methylpyridine-3-carboxylate.
What is the SMILES notation for 2,6-dichloro-4-methylpyridine-3-carboxylate?
The canonical SMILES for 2,6-dichloro-4-methylpyridine-3-carboxylate is Cc1cc(Cl)nc(Cl)c1C(=O)[O-].
What is the InChIKey of 2,6-dichloro-4-methylpyridine-3-carboxylate?
The InChIKey is QOSNTWMXACGOMD-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5Cl2NO2/c1-3-2-4(8)10-6(9)5(3)7(11)12/h2H,1H3,(H,11,12)/p-1.
What are the key properties of 2,6-dichloro-4-methylpyridine-3-carboxylate?
2,6-dichloro-4-methylpyridine-3-carboxylate has a molecular weight of 205.02 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-methylpyridine-3-carboxylate is sourced from PubChem (CID 4062420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).