propan-2-yl 3,5-dimethylpyridine-4-carboxylate

C11H15NO2 — CID 177327214

IUPACpropan-2-yl 3,5-dimethylpyridine-4-carboxylate
SMILESCc1cncc(C)c1C(=O)OC(C)C
InChIInChI=1S/C11H15NO2/c1-7(2)14-11(13)10-8(3)5-12-6-9(10)4/h5-7H,1-4H3
InChIKeyVRCJFNCXEXUHHZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.26
Rot. Bonds2

About propan-2-yl 3,5-dimethylpyridine-4-carboxylate

propan-2-yl 3,5-dimethylpyridine-4-carboxylate (PubChem CID 177327214) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is propan-2-yl 3,5-dimethylpyridine-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3,5-dimethylpyridine-4-carboxylate
PubChem CID177327214
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namepropan-2-yl 3,5-dimethylpyridine-4-carboxylate
SMILESCc1cncc(C)c1C(=O)OC(C)C
InChIInChI=1S/C11H15NO2/c1-7(2)14-11(13)10-8(3)5-12-6-9(10)4/h5-7H,1-4H3
InChIKeyVRCJFNCXEXUHHZ-UHFFFAOYSA-N
XLogP2.26
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-propan-2-yloxycarbonylpyrazine-2-carboxylic acid
CID 117212967
propan-2-yl 6-chloropyrazine-2-carboxylate
CID 106547521
propan-2-yl 2,6-dimethyl-4-propoxybenzoate
CID 82552444
propan-2-yl 4,6-dimethylpyridine-3-carboxylate
CID 121321019
propan-2-yl 6-chloro-3-methylpyridine-2-carboxylate
CID 155594307
dipropan-2-yl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate
CID 87817981
propan-2-yl pyrazine-2-carboxylate
CID 3022328
CID 50923065
CID 50923065
propan-2-yl 2-amino-6-fluoro-3-methylbenzoate
CID 60837625
propan-2-yl 5-bromo-3-hydroxypyridine-2-carboxylate
CID 133062597
ethyl 3-hydroxy-5-methylpyridine-4-carboxylate
CID 131216125
propan-2-yl 2,6-dichlorobenzoate
CID 22149751

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3,5-dimethylpyridine-4-carboxylate?
The IUPAC name of propan-2-yl 3,5-dimethylpyridine-4-carboxylate (CID 177327214) is propan-2-yl 3,5-dimethylpyridine-4-carboxylate.
What is the SMILES notation for propan-2-yl 3,5-dimethylpyridine-4-carboxylate?
The canonical SMILES for propan-2-yl 3,5-dimethylpyridine-4-carboxylate is Cc1cncc(C)c1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 3,5-dimethylpyridine-4-carboxylate?
The InChIKey is VRCJFNCXEXUHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7(2)14-11(13)10-8(3)5-12-6-9(10)4/h5-7H,1-4H3.
What are the key properties of propan-2-yl 3,5-dimethylpyridine-4-carboxylate?
propan-2-yl 3,5-dimethylpyridine-4-carboxylate has a molecular weight of 193.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3,5-dimethylpyridine-4-carboxylate is sourced from PubChem (CID 177327214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).