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

C11H17NO2 — CID 102216276

IUPACmethyl 2-tert-butyl-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CC=CC1C(C)(C)C
InChIInChI=1S/C11H17NO2/c1-11(2,3)9-7-5-6-8-12(9)10(13)14-4/h5-9H,1-4H3
InChIKeyDYCAJFJRTLXMAA-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.55
Rot. Bonds

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

methyl 2-tert-butyl-2H-pyridine-1-carboxylate (PubChem CID 102216276) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is methyl 2-tert-butyl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-tert-butyl-2H-pyridine-1-carboxylate
PubChem CID102216276
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Namemethyl 2-tert-butyl-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CC=CC1C(C)(C)C
InChIInChI=1S/C11H17NO2/c1-11(2,3)9-7-5-6-8-12(9)10(13)14-4/h5-9H,1-4H3
InChIKeyDYCAJFJRTLXMAA-UHFFFAOYSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.55
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 2,5-di(propan-2-yl)azepine-1-carboxylate
CID 10376792
methyl 2-butyl-2H-pyridine-1-carboxylate
CID 12416609
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 2,5-ditert-butylazepine-1-carboxylate
CID 12957576
methyl 5-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate
CID 13382559
Ethyl-1-methoxycarbonyl-4-pyridinium iodide
CID 129655271
ethyl (5aR,9aS)-5a,9a-dihydro-1-benzazepine-1-carboxylate
CID 134892857
ethyl (3aR,7aR)-3a,7a-dihydroindole-1-carboxylate
CID 134915718

Frequently Asked Questions

What is the IUPAC name of methyl 2-tert-butyl-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 2-tert-butyl-2H-pyridine-1-carboxylate (CID 102216276) is methyl 2-tert-butyl-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 2-tert-butyl-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 2-tert-butyl-2H-pyridine-1-carboxylate is COC(=O)N1C=CC=CC1C(C)(C)C.
What is the InChIKey of methyl 2-tert-butyl-2H-pyridine-1-carboxylate?
The InChIKey is DYCAJFJRTLXMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-11(2,3)9-7-5-6-8-12(9)10(13)14-4/h5-9H,1-4H3.
What are the key properties of methyl 2-tert-butyl-2H-pyridine-1-carboxylate?
methyl 2-tert-butyl-2H-pyridine-1-carboxylate has a molecular weight of 195.26 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-tert-butyl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 102216276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).