methyl 2-chloro-6-methylpyridine-3-carboxylate

C8H8ClNO2 — CID 13055804

IUPACmethyl 2-chloro-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C)nc1Cl
InChIInChI=1S/C8H8ClNO2/c1-5-3-4-6(7(9)10-5)8(11)12-2/h3-4H,1-2H3
InChIKeySHKDOGHJQHIIRD-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.83
Rot. Bonds1

About methyl 2-chloro-6-methylpyridine-3-carboxylate

methyl 2-chloro-6-methylpyridine-3-carboxylate (PubChem CID 13055804) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is methyl 2-chloro-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-6-methylpyridine-3-carboxylate
PubChem CID13055804
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Namemethyl 2-chloro-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C)nc1Cl
InChIInChI=1S/C8H8ClNO2/c1-5-3-4-6(7(9)10-5)8(11)12-2/h3-4H,1-2H3
InChIKeySHKDOGHJQHIIRD-UHFFFAOYSA-N
XLogP1.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.83
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 methyl 2-chloro-6-methylpyridine-3-carboxylate?
The IUPAC name of methyl 2-chloro-6-methylpyridine-3-carboxylate (CID 13055804) is methyl 2-chloro-6-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-chloro-6-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-chloro-6-methylpyridine-3-carboxylate is COC(=O)c1ccc(C)nc1Cl.
What is the InChIKey of methyl 2-chloro-6-methylpyridine-3-carboxylate?
The InChIKey is SHKDOGHJQHIIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c1-5-3-4-6(7(9)10-5)8(11)12-2/h3-4H,1-2H3.
What are the key properties of methyl 2-chloro-6-methylpyridine-3-carboxylate?
methyl 2-chloro-6-methylpyridine-3-carboxylate has a molecular weight of 185.61 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 13055804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).