methyl 2-propan-2-yloxy-5-propylpyridine-4-carboxylate

C13H19NO3 — CID 90246137

IUPACmethyl 2-propan-2-yloxy-5-propylpyridine-4-carboxylate
SMILESCCCc1cnc(OC(C)C)cc1C(=O)OC
InChIInChI=1S/C13H19NO3/c1-5-6-10-8-14-12(17-9(2)3)7-11(10)13(15)16-4/h7-9H,5-6H2,1-4H3
InChIKeyQRFLSUBATWVWJE-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.61
Rot. Bonds5

About methyl 2-propan-2-yloxy-5-propylpyridine-4-carboxylate

methyl 2-propan-2-yloxy-5-propylpyridine-4-carboxylate (PubChem CID 90246137) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-propan-2-yloxy-5-propylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-propan-2-yloxy-5-propylpyridine-4-carboxylate
PubChem CID90246137
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 2-propan-2-yloxy-5-propylpyridine-4-carboxylate
SMILESCCCc1cnc(OC(C)C)cc1C(=O)OC
InChIInChI=1S/C13H19NO3/c1-5-6-10-8-14-12(17-9(2)3)7-11(10)13(15)16-4/h7-9H,5-6H2,1-4H3
InChIKeyQRFLSUBATWVWJE-UHFFFAOYSA-N
XLogP2.61
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-propan-2-yloxy-5-propylpyridine-4-carboxylate?
The IUPAC name of methyl 2-propan-2-yloxy-5-propylpyridine-4-carboxylate (CID 90246137) is methyl 2-propan-2-yloxy-5-propylpyridine-4-carboxylate.
What is the SMILES notation for methyl 2-propan-2-yloxy-5-propylpyridine-4-carboxylate?
The canonical SMILES for methyl 2-propan-2-yloxy-5-propylpyridine-4-carboxylate is CCCc1cnc(OC(C)C)cc1C(=O)OC.
What is the InChIKey of methyl 2-propan-2-yloxy-5-propylpyridine-4-carboxylate?
The InChIKey is QRFLSUBATWVWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-5-6-10-8-14-12(17-9(2)3)7-11(10)13(15)16-4/h7-9H,5-6H2,1-4H3.
What are the key properties of methyl 2-propan-2-yloxy-5-propylpyridine-4-carboxylate?
methyl 2-propan-2-yloxy-5-propylpyridine-4-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-propan-2-yloxy-5-propylpyridine-4-carboxylate is sourced from PubChem (CID 90246137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).