tert-butyl pyridine-3-carboxylate;ethane

C12H19NO2 — CID 174774588

IUPACtert-butyl pyridine-3-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)c1cccnc1
InChIInChI=1S/C10H13NO2.C2H6/c1-10(2,3)13-9(12)8-5-4-6-11-7-8;1-2/h4-7H,1-3H3;1-2H3
InChIKeyUQZOEPJJENMRSR-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.06
Rot. Bonds1

About tert-butyl pyridine-3-carboxylate;ethane

tert-butyl pyridine-3-carboxylate;ethane (PubChem CID 174774588) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is tert-butyl pyridine-3-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl pyridine-3-carboxylate;ethane
PubChem CID174774588
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Nametert-butyl pyridine-3-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)c1cccnc1
InChIInChI=1S/C10H13NO2.C2H6/c1-10(2,3)13-9(12)8-5-4-6-11-7-8;1-2/h4-7H,1-3H3;1-2H3
InChIKeyUQZOEPJJENMRSR-UHFFFAOYSA-N
XLogP3.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(111C)methyl pyridine-3-carboxylate
CID 11309537
tert-butyl 3-oxo-3-pyridin-3-ylpropanoate
CID 22925074
azane;pyridine-3-carbonyl pyridine-3-carboxylate
CID 174932870
2-chloropropan-2-yl pyridine-3-carboperoxoate
CID 87453195
tert-butyl N-(1-pyridin-3-ylethenylamino)carbamate
CID 2589873
methylsulfanyl pyridine-3-carboxylate
CID 143338769
CID 22254315
CID 22254315
CID 162139404
CID 162139404
(propan-2-ylamino) pyridine-3-carboxylate
CID 144881639
[4-[2-[4-(pyridine-3-carbonyloxy)phenyl]propan-2-yl]phenyl] pyridine-3-carboxylate
CID 143295280
N,N-dimethylpyridine-3-carboxamide;ethane
CID 142562125
tert-butyl 3-(2-pyridin-3-ylethylamino)benzoate
CID 68952622

Frequently Asked Questions

What is the IUPAC name of tert-butyl pyridine-3-carboxylate;ethane?
The IUPAC name of tert-butyl pyridine-3-carboxylate;ethane (CID 174774588) is tert-butyl pyridine-3-carboxylate;ethane.
What is the SMILES notation for tert-butyl pyridine-3-carboxylate;ethane?
The canonical SMILES for tert-butyl pyridine-3-carboxylate;ethane is CC.CC(C)(C)OC(=O)c1cccnc1.
What is the InChIKey of tert-butyl pyridine-3-carboxylate;ethane?
The InChIKey is UQZOEPJJENMRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C2H6/c1-10(2,3)13-9(12)8-5-4-6-11-7-8;1-2/h4-7H,1-3H3;1-2H3.
What are the key properties of tert-butyl pyridine-3-carboxylate;ethane?
tert-butyl pyridine-3-carboxylate;ethane has a molecular weight of 209.29 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl pyridine-3-carboxylate;ethane is sourced from PubChem (CID 174774588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).