(6-propan-2-yloxy-2-pyridinyl) hydrogen carbonate

C9H11NO4 — CID 129216307

IUPAC(6-propan-2-yloxy-2-pyridinyl) hydrogen carbonate
SMILESCC(C)Oc1cccc(OC(=O)O)n1
InChIInChI=1S/C9H11NO4/c1-6(2)13-7-4-3-5-8(10-7)14-9(11)12/h3-6H,1-2H3,(H,11,12)
InChIKeyURWZCQOQGDMMOU-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.93
Rot. Bonds3

About (6-propan-2-yloxy-2-pyridinyl) hydrogen carbonate

(6-propan-2-yloxy-2-pyridinyl) hydrogen carbonate (PubChem CID 129216307) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is (6-propan-2-yloxy-2-pyridinyl) hydrogen carbonate.

Molecular Properties

Compound Name(6-propan-2-yloxy-2-pyridinyl) hydrogen carbonate
PubChem CID129216307
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name(6-propan-2-yloxy-2-pyridinyl) hydrogen carbonate
SMILESCC(C)Oc1cccc(OC(=O)O)n1
InChIInChI=1S/C9H11NO4/c1-6(2)13-7-4-3-5-8(10-7)14-9(11)12/h3-6H,1-2H3,(H,11,12)
InChIKeyURWZCQOQGDMMOU-UHFFFAOYSA-N
XLogP1.93
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-(6-propan-2-yloxy-2-pyridinyl)ethanone
CID 15783757
2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120520363
ethane;2-methyl-6-propan-2-yloxypyridine
CID 145378960
2-methyl-2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120518663
3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120515163
6-propan-2-yloxypyridine-2-sulfonyl chloride
CID 117167945
N-(2-hydroxypropyl)-6-propan-2-yloxypyridine-2-carboxamide
CID 109399314
3-methyl-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]pentanoic acid
CID 120520770
3-[ethyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120516584
2-chloro-6-propan-2-yloxypyridine-3-carboxylic acid
CID 86618835
dimethyl-(6-propan-2-yloxy-2-pyridinyl)-sulfanyl-λ4-sulfane
CID 130224781
[6-(1H-pyrazol-4-yl)-2-pyridinyl] hydrogen carbonate
CID 118172883

Frequently Asked Questions

What is the IUPAC name of (6-propan-2-yloxy-2-pyridinyl) hydrogen carbonate?
The IUPAC name of (6-propan-2-yloxy-2-pyridinyl) hydrogen carbonate (CID 129216307) is (6-propan-2-yloxy-2-pyridinyl) hydrogen carbonate.
What is the SMILES notation for (6-propan-2-yloxy-2-pyridinyl) hydrogen carbonate?
The canonical SMILES for (6-propan-2-yloxy-2-pyridinyl) hydrogen carbonate is CC(C)Oc1cccc(OC(=O)O)n1.
What is the InChIKey of (6-propan-2-yloxy-2-pyridinyl) hydrogen carbonate?
The InChIKey is URWZCQOQGDMMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-6(2)13-7-4-3-5-8(10-7)14-9(11)12/h3-6H,1-2H3,(H,11,12).
What are the key properties of (6-propan-2-yloxy-2-pyridinyl) hydrogen carbonate?
(6-propan-2-yloxy-2-pyridinyl) hydrogen carbonate has a molecular weight of 197.19 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-propan-2-yloxy-2-pyridinyl) hydrogen carbonate is sourced from PubChem (CID 129216307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).