methyl 4-chloro-3-methylpyridine-2-carboxylate

C8H8ClNO2 — CID 55277249

IUPACmethyl 4-chloro-3-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nccc(Cl)c1C
InChIInChI=1S/C8H8ClNO2/c1-5-6(9)3-4-10-7(5)8(11)12-2/h3-4H,1-2H3
InChIKeyVAWDFIIBJHTUAH-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.83
Rot. Bonds1

About methyl 4-chloro-3-methylpyridine-2-carboxylate

methyl 4-chloro-3-methylpyridine-2-carboxylate (PubChem CID 55277249) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is methyl 4-chloro-3-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-3-methylpyridine-2-carboxylate
PubChem CID55277249
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Namemethyl 4-chloro-3-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nccc(Cl)c1C
InChIInChI=1S/C8H8ClNO2/c1-5-6(9)3-4-10-7(5)8(11)12-2/h3-4H,1-2H3
InChIKeyVAWDFIIBJHTUAH-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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-methylpyridine-2-carboxylate?
The IUPAC name of methyl 4-chloro-3-methylpyridine-2-carboxylate (CID 55277249) is methyl 4-chloro-3-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 4-chloro-3-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 4-chloro-3-methylpyridine-2-carboxylate is COC(=O)c1nccc(Cl)c1C.
What is the InChIKey of methyl 4-chloro-3-methylpyridine-2-carboxylate?
The InChIKey is VAWDFIIBJHTUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c1-5-6(9)3-4-10-7(5)8(11)12-2/h3-4H,1-2H3.
What are the key properties of methyl 4-chloro-3-methylpyridine-2-carboxylate?
methyl 4-chloro-3-methylpyridine-2-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 4-chloro-3-methylpyridine-2-carboxylate is sourced from PubChem (CID 55277249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).