(5-carboxyoxy-3-propan-2-yloxy-2-pyridinyl) hydrogen carbonate

C10H11NO7 — CID 22363184

IUPAC(5-carboxyoxy-3-propan-2-yloxy-2-pyridinyl) hydrogen carbonate
SMILESCC(C)Oc1cc(OC(=O)O)cnc1OC(=O)O
InChIInChI=1S/C10H11NO7/c1-5(2)16-7-3-6(17-9(12)13)4-11-8(7)18-10(14)15/h3-5H,1-2H3,(H,12,13)(H,14,15)
InChIKeyRPANBXPLHLPZQS-UHFFFAOYSA-N
MW257.20 g/mol
LogP1.98
Rot. Bonds4

About (5-carboxyoxy-3-propan-2-yloxy-2-pyridinyl) hydrogen carbonate

(5-carboxyoxy-3-propan-2-yloxy-2-pyridinyl) hydrogen carbonate (PubChem CID 22363184) has the molecular formula C10H11NO7 and a molecular weight of 257.20 g/mol. Its IUPAC name is (5-carboxyoxy-3-propan-2-yloxy-2-pyridinyl) hydrogen carbonate.

Molecular Properties

Compound Name(5-carboxyoxy-3-propan-2-yloxy-2-pyridinyl) hydrogen carbonate
PubChem CID22363184
Molecular FormulaC10H11NO7
Molecular Weight257.20 g/mol
Exact Mass257.05
IUPAC Name(5-carboxyoxy-3-propan-2-yloxy-2-pyridinyl) hydrogen carbonate
SMILESCC(C)Oc1cc(OC(=O)O)cnc1OC(=O)O
InChIInChI=1S/C10H11NO7/c1-5(2)16-7-3-6(17-9(12)13)4-11-8(7)18-10(14)15/h3-5H,1-2H3,(H,12,13)(H,14,15)
InChIKeyRPANBXPLHLPZQS-UHFFFAOYSA-N
XLogP1.98
TPSA115.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-carboxyoxy-3-propan-2-yloxy-2-pyridinyl) hydrogen carbonate?
The IUPAC name of (5-carboxyoxy-3-propan-2-yloxy-2-pyridinyl) hydrogen carbonate (CID 22363184) is (5-carboxyoxy-3-propan-2-yloxy-2-pyridinyl) hydrogen carbonate.
What is the SMILES notation for (5-carboxyoxy-3-propan-2-yloxy-2-pyridinyl) hydrogen carbonate?
The canonical SMILES for (5-carboxyoxy-3-propan-2-yloxy-2-pyridinyl) hydrogen carbonate is CC(C)Oc1cc(OC(=O)O)cnc1OC(=O)O.
What is the InChIKey of (5-carboxyoxy-3-propan-2-yloxy-2-pyridinyl) hydrogen carbonate?
The InChIKey is RPANBXPLHLPZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO7/c1-5(2)16-7-3-6(17-9(12)13)4-11-8(7)18-10(14)15/h3-5H,1-2H3,(H,12,13)(H,14,15).
What are the key properties of (5-carboxyoxy-3-propan-2-yloxy-2-pyridinyl) hydrogen carbonate?
(5-carboxyoxy-3-propan-2-yloxy-2-pyridinyl) hydrogen carbonate has a molecular weight of 257.20 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-carboxyoxy-3-propan-2-yloxy-2-pyridinyl) hydrogen carbonate is sourced from PubChem (CID 22363184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).