[cyano(pyridin-2-yl)methyl] methyl carbonate

C9H8N2O3 — CID 11252507

IUPAC[cyano(pyridin-2-yl)methyl] methyl carbonate
SMILESCOC(=O)OC(C#N)c1ccccn1
InChIInChI=1S/C9H8N2O3/c1-13-9(12)14-8(6-10)7-4-2-3-5-11-7/h2-5,8H,1H3
InChIKeyKHRSPBZGPUESHC-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.43
Rot. Bonds2

About [cyano(pyridin-2-yl)methyl] methyl carbonate

[cyano(pyridin-2-yl)methyl] methyl carbonate (PubChem CID 11252507) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is [cyano(pyridin-2-yl)methyl] methyl carbonate.

Molecular Properties

Compound Name[cyano(pyridin-2-yl)methyl] methyl carbonate
PubChem CID11252507
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name[cyano(pyridin-2-yl)methyl] methyl carbonate
SMILESCOC(=O)OC(C#N)c1ccccn1
InChIInChI=1S/C9H8N2O3/c1-13-9(12)14-8(6-10)7-4-2-3-5-11-7/h2-5,8H,1H3
InChIKeyKHRSPBZGPUESHC-UHFFFAOYSA-N
XLogP1.43
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-cyano-2-oxo-3-pyridin-2-ylpropanoate
CID 3528141
methyl (2R)-2-amino-2-pyridin-2-ylacetate
CID 86316521
methyl 2-pyridin-2-yl-3-sulfanylpropanoate
CID 117241525
(2R)-N-tert-butyl-2-cyano-2-pyridin-2-ylacetamide
CID 97253743
N-[cyano(pyridin-2-yl)methyl]-2,2-dimethylpropanamide
CID 82113909
2,2-dipyridin-2-ylacetonitrile
CID 14006057
methyl 2-methyl-3-pyridin-2-ylbutanoate
CID 102470935
N-[cyano(pyridin-2-yl)methyl]-3-methoxybenzamide
CID 82122992
N-[cyano(pyridin-2-yl)methyl]-3-methylbutanamide
CID 82113908
2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
CID 81407753
methyl 2-(cyclopropylamino)-2-pyridin-2-ylacetate
CID 66593106
2-(2-methoxyphenyl)-2-pyridin-2-ylacetonitrile
CID 10704351

Frequently Asked Questions

What is the IUPAC name of [cyano(pyridin-2-yl)methyl] methyl carbonate?
The IUPAC name of [cyano(pyridin-2-yl)methyl] methyl carbonate (CID 11252507) is [cyano(pyridin-2-yl)methyl] methyl carbonate.
What is the SMILES notation for [cyano(pyridin-2-yl)methyl] methyl carbonate?
The canonical SMILES for [cyano(pyridin-2-yl)methyl] methyl carbonate is COC(=O)OC(C#N)c1ccccn1.
What is the InChIKey of [cyano(pyridin-2-yl)methyl] methyl carbonate?
The InChIKey is KHRSPBZGPUESHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-13-9(12)14-8(6-10)7-4-2-3-5-11-7/h2-5,8H,1H3.
What are the key properties of [cyano(pyridin-2-yl)methyl] methyl carbonate?
[cyano(pyridin-2-yl)methyl] methyl carbonate has a molecular weight of 192.17 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [cyano(pyridin-2-yl)methyl] methyl carbonate is sourced from PubChem (CID 11252507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).