tert-butyl 2-tert-butyl-2H-pyridine-1-carboxylate

C14H23NO2 — CID 167590283

IUPACtert-butyl 2-tert-butyl-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C=CC=CC1C(C)(C)C
InChIInChI=1S/C14H23NO2/c1-13(2,3)11-9-7-8-10-15(11)12(16)17-14(4,5)6/h7-11H,1-6H3
InChIKeyIIMQHVCQBWPNIB-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.72
Rot. Bonds

About tert-butyl 2-tert-butyl-2H-pyridine-1-carboxylate

tert-butyl 2-tert-butyl-2H-pyridine-1-carboxylate (PubChem CID 167590283) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is tert-butyl 2-tert-butyl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-tert-butyl-2H-pyridine-1-carboxylate
PubChem CID167590283
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nametert-butyl 2-tert-butyl-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C=CC=CC1C(C)(C)C
InChIInChI=1S/C14H23NO2/c1-13(2,3)11-9-7-8-10-15(11)12(16)17-14(4,5)6/h7-11H,1-6H3
InChIKeyIIMQHVCQBWPNIB-UHFFFAOYSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-[10-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2H-pyridin-2-yl]anthracen-9-yl]-2H-pyridine-1-carboxylate
CID 154636798
tert-butyl (2S)-2-tert-butyl-2H-1,3-oxazole-3-carboxylate
CID 121002766
tert-butyl 2,5-dimethyl-2,5-dihydropyrrole-1-carboxylate
CID 133054170
tert-butyl 2-acetyl-2,3-dihydropyrrole-1-carboxylate
CID 118329389
tert-butyl 2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 66545572
ditert-butyl 2,3-dihydropyrrole-1,2-dicarboxylate
CID 76804679
ditert-butyl (2S)-2-methyl-2,3-dihydropyrazine-1,4-dicarboxylate
CID 166441093
tert-butyl (2S)-2-acetyl-2,3-dihydropyrrole-1-carboxylate
CID 171048922
ditert-butyl (2S)-2,3-dihydropyrrole-1,2-dicarboxylate
CID 11173242
tert-butyl 2H-pyridine-1-carboxylate
CID 15730582
1-O-tert-butyl 2-O,5-O-dimethyl 2,5-dihydropyrrole-1,2,5-tricarboxylate
CID 11414924
tert-butyl (3S,6R)-3,6-dimethyl-3,6-dihydrooxazine-2-carboxylate
CID 102237910

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-tert-butyl-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 2-tert-butyl-2H-pyridine-1-carboxylate (CID 167590283) is tert-butyl 2-tert-butyl-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-tert-butyl-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 2-tert-butyl-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1C=CC=CC1C(C)(C)C.
What is the InChIKey of tert-butyl 2-tert-butyl-2H-pyridine-1-carboxylate?
The InChIKey is IIMQHVCQBWPNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-13(2,3)11-9-7-8-10-15(11)12(16)17-14(4,5)6/h7-11H,1-6H3.
What are the key properties of tert-butyl 2-tert-butyl-2H-pyridine-1-carboxylate?
tert-butyl 2-tert-butyl-2H-pyridine-1-carboxylate has a molecular weight of 237.34 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-tert-butyl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 167590283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).