propan-2-yl 1-methyl-2H-pyridine-2-carboxylate

C10H15NO2 — CID 11579225

IUPACpropan-2-yl 1-methyl-2H-pyridine-2-carboxylate
SMILESCC(C)OC(=O)C1C=CC=CN1C
InChIInChI=1S/C10H15NO2/c1-8(2)13-10(12)9-6-4-5-7-11(9)3/h4-9H,1-3H3
InChIKeySIEZTDQCJBHFIH-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.32
Rot. Bonds2

About propan-2-yl 1-methyl-2H-pyridine-2-carboxylate

propan-2-yl 1-methyl-2H-pyridine-2-carboxylate (PubChem CID 11579225) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is propan-2-yl 1-methyl-2H-pyridine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-methyl-2H-pyridine-2-carboxylate
PubChem CID11579225
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Namepropan-2-yl 1-methyl-2H-pyridine-2-carboxylate
SMILESCC(C)OC(=O)C1C=CC=CN1C
InChIInChI=1S/C10H15NO2/c1-8(2)13-10(12)9-6-4-5-7-11(9)3/h4-9H,1-3H3
InChIKeySIEZTDQCJBHFIH-UHFFFAOYSA-N
XLogP1.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-methylpicolinate
CID 129791326
1-Methyl-2,3-dihydropyridin-3-ylium-2-carboxylate
CID 129850582
methyl (2S)-2-(acetyloxymethyl)-2H-pyridine-1-carboxylate
CID 11321791
Ethyl 4-methyl-1,2-dihydropyridine-2-carboxylate
CID 18707191
2-(Dimethylamino)ethyl 1,2-dihydropyridine-2-carboxylate
CID 18707366
Ethyl 1,2-dihydropyridine-2-carboxylate
CID 22741614
methyl 6-bromo-1-methyl-2H-pyridine-2-carboxylate
CID 56616130
1-O-tert-butyl 2-O-ethyl 2H-pyridine-1,2-dicarboxylate
CID 69182933
ethyl 4H-quinolizine-4-carboxylate
CID 88259876
methyl 1,3-dimethyl-2H-pyridine-2-carboxylate
CID 91568212
Methyl 1,2-dimethylpyridine-2-carboxylate
CID 121354109
ethyl 2-(4-hydroxy-2-methyl-2H-pyridin-1-yl)acetate
CID 135339865

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-methyl-2H-pyridine-2-carboxylate?
The IUPAC name of propan-2-yl 1-methyl-2H-pyridine-2-carboxylate (CID 11579225) is propan-2-yl 1-methyl-2H-pyridine-2-carboxylate.
What is the SMILES notation for propan-2-yl 1-methyl-2H-pyridine-2-carboxylate?
The canonical SMILES for propan-2-yl 1-methyl-2H-pyridine-2-carboxylate is CC(C)OC(=O)C1C=CC=CN1C.
What is the InChIKey of propan-2-yl 1-methyl-2H-pyridine-2-carboxylate?
The InChIKey is SIEZTDQCJBHFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8(2)13-10(12)9-6-4-5-7-11(9)3/h4-9H,1-3H3.
What are the key properties of propan-2-yl 1-methyl-2H-pyridine-2-carboxylate?
propan-2-yl 1-methyl-2H-pyridine-2-carboxylate has a molecular weight of 181.23 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-methyl-2H-pyridine-2-carboxylate is sourced from PubChem (CID 11579225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).