propan-2-yl 2-propan-2-yloxypyridine-3-carboxylate

C12H17NO3 — CID 121229095

IUPACpropan-2-yl 2-propan-2-yloxypyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cccnc1OC(C)C
InChIInChI=1S/C12H17NO3/c1-8(2)15-11-10(6-5-7-13-11)12(14)16-9(3)4/h5-9H,1-4H3
InChIKeySFRXZPKBJWCOQT-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.43
Rot. Bonds4

About propan-2-yl 2-propan-2-yloxypyridine-3-carboxylate

propan-2-yl 2-propan-2-yloxypyridine-3-carboxylate (PubChem CID 121229095) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is propan-2-yl 2-propan-2-yloxypyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-propan-2-yloxypyridine-3-carboxylate
PubChem CID121229095
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namepropan-2-yl 2-propan-2-yloxypyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cccnc1OC(C)C
InChIInChI=1S/C12H17NO3/c1-8(2)15-11-10(6-5-7-13-11)12(14)16-9(3)4/h5-9H,1-4H3
InChIKeySFRXZPKBJWCOQT-UHFFFAOYSA-N
XLogP2.43
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dipropan-2-yl pyridine-2,3-dicarboxylate
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2-propan-2-yloxycarbonylpyridine-3-carboxylic acid
CID 20750066
propan-2-yl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
CID 55475285
propan-2-yl 2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate
CID 67322223
1-[2-(difluoromethoxy)-3-pyridinyl]ethanone
CID 130837604
3-methyl-2-propan-2-yloxypyridine
CID 21334096
propan-2-yl 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate
CID 154266442
propan-2-yl 5-methoxyquinoline-8-carboxylate
CID 67977903
propan-2-yl 2-[[1-[[4-[[2-[(3-propan-2-yloxycarbonyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate
CID 78023945
2-[4-(3-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 133442979
2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid
CID 66275211
1,3,3-trimethyl-4-(2-propan-2-yloxypyridine-3-carbonyl)piperazin-2-one
CID 146075683

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-propan-2-yloxypyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-propan-2-yloxypyridine-3-carboxylate (CID 121229095) is propan-2-yl 2-propan-2-yloxypyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-propan-2-yloxypyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-propan-2-yloxypyridine-3-carboxylate is CC(C)OC(=O)c1cccnc1OC(C)C.
What is the InChIKey of propan-2-yl 2-propan-2-yloxypyridine-3-carboxylate?
The InChIKey is SFRXZPKBJWCOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8(2)15-11-10(6-5-7-13-11)12(14)16-9(3)4/h5-9H,1-4H3.
What are the key properties of propan-2-yl 2-propan-2-yloxypyridine-3-carboxylate?
propan-2-yl 2-propan-2-yloxypyridine-3-carboxylate has a molecular weight of 223.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-propan-2-yloxypyridine-3-carboxylate is sourced from PubChem (CID 121229095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).