(5-tert-butyl-2-pyridinyl) hydrogen carbonate

C10H13NO3 — CID 118071933

IUPAC(5-tert-butyl-2-pyridinyl) hydrogen carbonate
SMILESCC(C)(C)c1ccc(OC(=O)O)nc1
InChIInChI=1S/C10H13NO3/c1-10(2,3)7-4-5-8(11-6-7)14-9(12)13/h4-6H,1-3H3,(H,12,13)
InChIKeyPXTGLJSKIWHNGT-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.44
Rot. Bonds1

About (5-tert-butyl-2-pyridinyl) hydrogen carbonate

(5-tert-butyl-2-pyridinyl) hydrogen carbonate (PubChem CID 118071933) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (5-tert-butyl-2-pyridinyl) hydrogen carbonate.

Molecular Properties

Compound Name(5-tert-butyl-2-pyridinyl) hydrogen carbonate
PubChem CID118071933
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(5-tert-butyl-2-pyridinyl) hydrogen carbonate
SMILESCC(C)(C)c1ccc(OC(=O)O)nc1
InChIInChI=1S/C10H13NO3/c1-10(2,3)7-4-5-8(11-6-7)14-9(12)13/h4-6H,1-3H3,(H,12,13)
InChIKeyPXTGLJSKIWHNGT-UHFFFAOYSA-N
XLogP2.44
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-2-pyridinyl) hydrogen carbonate?
The IUPAC name of (5-tert-butyl-2-pyridinyl) hydrogen carbonate (CID 118071933) is (5-tert-butyl-2-pyridinyl) hydrogen carbonate.
What is the SMILES notation for (5-tert-butyl-2-pyridinyl) hydrogen carbonate?
The canonical SMILES for (5-tert-butyl-2-pyridinyl) hydrogen carbonate is CC(C)(C)c1ccc(OC(=O)O)nc1.
What is the InChIKey of (5-tert-butyl-2-pyridinyl) hydrogen carbonate?
The InChIKey is PXTGLJSKIWHNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-10(2,3)7-4-5-8(11-6-7)14-9(12)13/h4-6H,1-3H3,(H,12,13).
What are the key properties of (5-tert-butyl-2-pyridinyl) hydrogen carbonate?
(5-tert-butyl-2-pyridinyl) hydrogen carbonate has a molecular weight of 195.22 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-2-pyridinyl) hydrogen carbonate is sourced from PubChem (CID 118071933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).