methyl 5-ethyl-2H-pyridine-1-carboxylate

C9H13NO2 — CID 12565505

IUPACmethyl 5-ethyl-2H-pyridine-1-carboxylate
SMILESCCC1=CN(C(=O)OC)CC=C1
InChIInChI=1S/C9H13NO2/c1-3-8-5-4-6-10(7-8)9(11)12-2/h4-5,7H,3,6H2,1-2H3
InChIKeyMLNOOUCUZIIIKG-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.92
Rot. Bonds1

About methyl 5-ethyl-2H-pyridine-1-carboxylate

methyl 5-ethyl-2H-pyridine-1-carboxylate (PubChem CID 12565505) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is methyl 5-ethyl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-2H-pyridine-1-carboxylate
PubChem CID12565505
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Namemethyl 5-ethyl-2H-pyridine-1-carboxylate
SMILESCCC1=CN(C(=O)OC)CC=C1
InChIInChI=1S/C9H13NO2/c1-3-8-5-4-6-10(7-8)9(11)12-2/h4-5,7H,3,6H2,1-2H3
InChIKeyMLNOOUCUZIIIKG-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1(2h)-Pyridinecarboxylic acid,2-(2-propenyl)-,methyl ester
CID 13382552
methyl 3-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate
CID 13382558
methyl 5-(trifluoromethyl)-2H-pyridine-1-carboxylate
CID 58225270
methyl 2-methyl-2H-pyridine-1-carboxylate
CID 12853358
methyl 2-ethylpyridine-1(2H)-carboxylate
CID 12853359
(r,s)-2-Vinyl-2h-pyridine-1-carboxylic acid methyl ester
CID 12853365
methyl 5-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate
CID 13382559
butyl 5-methyl-2H-pyridine-1-carboxylate
CID 176427874
1H-Azepine-1-carboxylic acid, 3-methyl-, methyl ester
CID 584072
methyl 3-ethyl-2H-pyridine-1-carboxylate
CID 12520276
ethyl 2,4-dimethyl-2H-pyridine-1-carboxylate
CID 13415533
Methyl 2-benzazepine-2-carboxylate
CID 13811240

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 5-ethyl-2H-pyridine-1-carboxylate (CID 12565505) is methyl 5-ethyl-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 5-ethyl-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 5-ethyl-2H-pyridine-1-carboxylate is CCC1=CN(C(=O)OC)CC=C1.
What is the InChIKey of methyl 5-ethyl-2H-pyridine-1-carboxylate?
The InChIKey is MLNOOUCUZIIIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-8-5-4-6-10(7-8)9(11)12-2/h4-5,7H,3,6H2,1-2H3.
What are the key properties of methyl 5-ethyl-2H-pyridine-1-carboxylate?
methyl 5-ethyl-2H-pyridine-1-carboxylate has a molecular weight of 167.21 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 12565505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).