methyl 6-cyclopropyl-4-methylpyridine-3-carboxylate

C11H13NO2 — CID 172915603

IUPACmethyl 6-cyclopropyl-4-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C2CC2)cc1C
InChIInChI=1S/C11H13NO2/c1-7-5-10(8-3-4-8)12-6-9(7)11(13)14-2/h5-6,8H,3-4H2,1-2H3
InChIKeyPPFSFOIGZGJYLZ-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.05
Rot. Bonds2

About methyl 6-cyclopropyl-4-methylpyridine-3-carboxylate

methyl 6-cyclopropyl-4-methylpyridine-3-carboxylate (PubChem CID 172915603) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl 6-cyclopropyl-4-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-cyclopropyl-4-methylpyridine-3-carboxylate
PubChem CID172915603
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl 6-cyclopropyl-4-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C2CC2)cc1C
InChIInChI=1S/C11H13NO2/c1-7-5-10(8-3-4-8)12-6-9(7)11(13)14-2/h5-6,8H,3-4H2,1-2H3
InChIKeyPPFSFOIGZGJYLZ-UHFFFAOYSA-N
XLogP2.05
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-cyclopropyl-4-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-cyclopropyl-4-methylpyridine-3-carboxylate (CID 172915603) is methyl 6-cyclopropyl-4-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-cyclopropyl-4-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-cyclopropyl-4-methylpyridine-3-carboxylate is COC(=O)c1cnc(C2CC2)cc1C.
What is the InChIKey of methyl 6-cyclopropyl-4-methylpyridine-3-carboxylate?
The InChIKey is PPFSFOIGZGJYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-5-10(8-3-4-8)12-6-9(7)11(13)14-2/h5-6,8H,3-4H2,1-2H3.
What are the key properties of methyl 6-cyclopropyl-4-methylpyridine-3-carboxylate?
methyl 6-cyclopropyl-4-methylpyridine-3-carboxylate has a molecular weight of 191.23 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-cyclopropyl-4-methylpyridine-3-carboxylate is sourced from PubChem (CID 172915603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).