benzyl 2-methyl-2H-pyridine-1-carboxylate

C14H15NO2 — CID 10933258

IUPACbenzyl 2-methyl-2H-pyridine-1-carboxylate
SMILESCC1C=CC=CN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H15NO2/c1-12-7-5-6-10-15(12)14(16)17-11-13-8-3-2-4-9-13/h2-10,12H,11H2,1H3
InChIKeyVMWDOGGLGDAYGF-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.10
Rot. Bonds2

About benzyl 2-methyl-2H-pyridine-1-carboxylate

benzyl 2-methyl-2H-pyridine-1-carboxylate (PubChem CID 10933258) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is benzyl 2-methyl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-methyl-2H-pyridine-1-carboxylate
PubChem CID10933258
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namebenzyl 2-methyl-2H-pyridine-1-carboxylate
SMILESCC1C=CC=CN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H15NO2/c1-12-7-5-6-10-15(12)14(16)17-11-13-8-3-2-4-9-13/h2-10,12H,11H2,1H3
InChIKeyVMWDOGGLGDAYGF-UHFFFAOYSA-N
XLogP3.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-(prop-2-en-1-yl)carbamate
CID 562279
Benzyl 3-pyrroline-1-carboxylate
CID 643471
Benzyl 5,6-dihydropyridine-1(2H)-carboxylate
CID 11458613
Benzyl 3,4-dihydropyridine-1(2H)-carboxylate
CID 15637681
benzyl N-[(1E)-buta-1,3-dienyl]carbamate
CID 5384222
Benzyl dimethylcarbamate
CID 12963450
benzyl N-ethenylcarbamate
CID 10931982
Benzyl 2,3-dihydro-1H-pyrrole-1-carboxylate
CID 11074472
Benzyl 3,4-dihydro-4-oxo-pyridine-1(2H)-carboxylate
CID 11368235
Benzyl N-methyl-N-(2-oxoethyl)carbamate
CID 12010768
N-Cbz-N-methyl-2-aminoethanol
CID 13279869
Benzyl 4-methylidenepiperidine-1-carboxylate
CID 15519136

Frequently Asked Questions

What is the IUPAC name of benzyl 2-methyl-2H-pyridine-1-carboxylate?
The IUPAC name of benzyl 2-methyl-2H-pyridine-1-carboxylate (CID 10933258) is benzyl 2-methyl-2H-pyridine-1-carboxylate.
What is the SMILES notation for benzyl 2-methyl-2H-pyridine-1-carboxylate?
The canonical SMILES for benzyl 2-methyl-2H-pyridine-1-carboxylate is CC1C=CC=CN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-methyl-2H-pyridine-1-carboxylate?
The InChIKey is VMWDOGGLGDAYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-12-7-5-6-10-15(12)14(16)17-11-13-8-3-2-4-9-13/h2-10,12H,11H2,1H3.
What are the key properties of benzyl 2-methyl-2H-pyridine-1-carboxylate?
benzyl 2-methyl-2H-pyridine-1-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-methyl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 10933258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).