4-ethoxypyridine-3-carbonitrile;formic acid

C9H10N2O3 — CID 175946490

IUPAC4-ethoxypyridine-3-carbonitrile;formic acid
SMILESCCOc1ccncc1C#N.O=CO
InChIInChI=1S/C8H8N2O.CH2O2/c1-2-11-8-3-4-10-6-7(8)5-9;2-1-3/h3-4,6H,2H2,1H3;1H,(H,2,3)
InChIKeyCRVZMVXPNNUHJU-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.05
Rot. Bonds2

About 4-ethoxypyridine-3-carbonitrile;formic acid

4-ethoxypyridine-3-carbonitrile;formic acid (PubChem CID 175946490) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 4-ethoxypyridine-3-carbonitrile;formic acid.

Molecular Properties

Compound Name4-ethoxypyridine-3-carbonitrile;formic acid
PubChem CID175946490
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name4-ethoxypyridine-3-carbonitrile;formic acid
SMILESCCOc1ccncc1C#N.O=CO
InChIInChI=1S/C8H8N2O.CH2O2/c1-2-11-8-3-4-10-6-7(8)5-9;2-1-3/h3-4,6H,2H2,1H3;1H,(H,2,3)
InChIKeyCRVZMVXPNNUHJU-UHFFFAOYSA-N
XLogP1.05
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxypyridine-3-carbonitrile;formic acid?
The IUPAC name of 4-ethoxypyridine-3-carbonitrile;formic acid (CID 175946490) is 4-ethoxypyridine-3-carbonitrile;formic acid.
What is the SMILES notation for 4-ethoxypyridine-3-carbonitrile;formic acid?
The canonical SMILES for 4-ethoxypyridine-3-carbonitrile;formic acid is CCOc1ccncc1C#N.O=CO.
What is the InChIKey of 4-ethoxypyridine-3-carbonitrile;formic acid?
The InChIKey is CRVZMVXPNNUHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O.CH2O2/c1-2-11-8-3-4-10-6-7(8)5-9;2-1-3/h3-4,6H,2H2,1H3;1H,(H,2,3).
What are the key properties of 4-ethoxypyridine-3-carbonitrile;formic acid?
4-ethoxypyridine-3-carbonitrile;formic acid has a molecular weight of 194.19 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxypyridine-3-carbonitrile;formic acid is sourced from PubChem (CID 175946490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).