2-butoxypyridine;carbonic acid

C10H15NO4 — CID 159061563

IUPAC2-butoxypyridine;carbonic acid
SMILESCCCCOc1ccccn1.O=C(O)O
InChIInChI=1S/C9H13NO.CH2O3/c1-2-3-8-11-9-6-4-5-7-10-9;2-1(3)4/h4-7H,2-3,8H2,1H3;(H2,2,3,4)
InChIKeyJYNNLSICQVPJPT-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.48
Rot. Bonds4

About 2-butoxypyridine;carbonic acid

2-butoxypyridine;carbonic acid (PubChem CID 159061563) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-butoxypyridine;carbonic acid.

Molecular Properties

Compound Name2-butoxypyridine;carbonic acid
PubChem CID159061563
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-butoxypyridine;carbonic acid
SMILESCCCCOc1ccccn1.O=C(O)O
InChIInChI=1S/C9H13NO.CH2O3/c1-2-3-8-11-9-6-4-5-7-10-9;2-1(3)4/h4-7H,2-3,8H2,1H3;(H2,2,3,4)
InChIKeyJYNNLSICQVPJPT-UHFFFAOYSA-N
XLogP2.48
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-butoxypyridine;carbonic acid?
The IUPAC name of 2-butoxypyridine;carbonic acid (CID 159061563) is 2-butoxypyridine;carbonic acid.
What is the SMILES notation for 2-butoxypyridine;carbonic acid?
The canonical SMILES for 2-butoxypyridine;carbonic acid is CCCCOc1ccccn1.O=C(O)O.
What is the InChIKey of 2-butoxypyridine;carbonic acid?
The InChIKey is JYNNLSICQVPJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.CH2O3/c1-2-3-8-11-9-6-4-5-7-10-9;2-1(3)4/h4-7H,2-3,8H2,1H3;(H2,2,3,4).
What are the key properties of 2-butoxypyridine;carbonic acid?
2-butoxypyridine;carbonic acid has a molecular weight of 213.23 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxypyridine;carbonic acid is sourced from PubChem (CID 159061563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).