ethyl (5-methyl-2-pyridinyl) carbonate

C9H11NO3 — CID 70426723

IUPACethyl (5-methyl-2-pyridinyl) carbonate
SMILESCCOC(=O)Oc1ccc(C)cn1
InChIInChI=1S/C9H11NO3/c1-3-12-9(11)13-8-5-4-7(2)6-10-8/h4-6H,3H2,1-2H3
InChIKeyMKBOPLYEOJLRBP-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.93
Rot. Bonds2

About ethyl (5-methyl-2-pyridinyl) carbonate

ethyl (5-methyl-2-pyridinyl) carbonate (PubChem CID 70426723) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is ethyl (5-methyl-2-pyridinyl) carbonate.

Molecular Properties

Compound Nameethyl (5-methyl-2-pyridinyl) carbonate
PubChem CID70426723
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Nameethyl (5-methyl-2-pyridinyl) carbonate
SMILESCCOC(=O)Oc1ccc(C)cn1
InChIInChI=1S/C9H11NO3/c1-3-12-9(11)13-8-5-4-7(2)6-10-8/h4-6H,3H2,1-2H3
InChIKeyMKBOPLYEOJLRBP-UHFFFAOYSA-N
XLogP1.93
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(chloromethyl)-2-pyridinyl] ethyl carbonate
CID 68955424
ethyl 4-[(5-methyl-2-pyridinyl)oxy]butanoate
CID 58878874
(5-methyl-2-pyridinyl) 3-methylbenzoate
CID 836259
(5-bromo-2-methylpyrimidin-4-yl) ethyl carbonate
CID 23177790
2-ethoxycarbonyloxyethyl ethyl carbonate;1,4-xylene
CID 20503523
ethyl 4-[(5-methyl-2-pyridinyl)carbamothioylamino]benzoate
CID 19686092
2-[(3E)-hepta-1,3-dien-3-yl]oxy-5-methylpyridine
CID 143409117
ethyl [5-(naphthalen-2-ylsulfonylcarbamoyl)-2-pyridinyl] carbonate
CID 67749124
ethyl (3R)-3-amino-3-(5-methyl-2-pyridinyl)propanoate
CID 81311502
ethyl [5-(4-phenylbutylsulfonylcarbamoyl)-2-pyridinyl] carbonate
CID 67749458
(5-acetamido-2-pyridinyl) hydrogen carbonate
CID 91622867
ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate
CID 110176757

Frequently Asked Questions

What is the IUPAC name of ethyl (5-methyl-2-pyridinyl) carbonate?
The IUPAC name of ethyl (5-methyl-2-pyridinyl) carbonate (CID 70426723) is ethyl (5-methyl-2-pyridinyl) carbonate.
What is the SMILES notation for ethyl (5-methyl-2-pyridinyl) carbonate?
The canonical SMILES for ethyl (5-methyl-2-pyridinyl) carbonate is CCOC(=O)Oc1ccc(C)cn1.
What is the InChIKey of ethyl (5-methyl-2-pyridinyl) carbonate?
The InChIKey is MKBOPLYEOJLRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-3-12-9(11)13-8-5-4-7(2)6-10-8/h4-6H,3H2,1-2H3.
What are the key properties of ethyl (5-methyl-2-pyridinyl) carbonate?
ethyl (5-methyl-2-pyridinyl) carbonate has a molecular weight of 181.19 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5-methyl-2-pyridinyl) carbonate is sourced from PubChem (CID 70426723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).