ethyl 6-chloro-2-methylpyridine-3-carboxylate

C9H10ClNO2 — CID 46221418

IUPACethyl 6-chloro-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Cl)nc1C
InChIInChI=1S/C9H10ClNO2/c1-3-13-9(12)7-4-5-8(10)11-6(7)2/h4-5H,3H2,1-2H3
InChIKeyCRQYVOKBIGDOGA-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.22
Rot. Bonds2

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

ethyl 6-chloro-2-methylpyridine-3-carboxylate (PubChem CID 46221418) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is ethyl 6-chloro-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-2-methylpyridine-3-carboxylate
PubChem CID46221418
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Nameethyl 6-chloro-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Cl)nc1C
InChIInChI=1S/C9H10ClNO2/c1-3-13-9(12)7-4-5-8(10)11-6(7)2/h4-5H,3H2,1-2H3
InChIKeyCRQYVOKBIGDOGA-UHFFFAOYSA-N
XLogP2.22
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.22
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 ethyl 6-chloro-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-chloro-2-methylpyridine-3-carboxylate (CID 46221418) is ethyl 6-chloro-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-2-methylpyridine-3-carboxylate is CCOC(=O)c1ccc(Cl)nc1C.
What is the InChIKey of ethyl 6-chloro-2-methylpyridine-3-carboxylate?
The InChIKey is CRQYVOKBIGDOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-3-13-9(12)7-4-5-8(10)11-6(7)2/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 6-chloro-2-methylpyridine-3-carboxylate?
ethyl 6-chloro-2-methylpyridine-3-carboxylate has a molecular weight of 199.64 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 46221418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).