formic acid;4-phenylpyridine

C12H11NO2 — CID 162013415

IUPACformic acid;4-phenylpyridine
SMILESO=CO.c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C11H9N.CH2O2/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;2-1-3/h1-9H;1H,(H,2,3)
InChIKeyYTTYHJMARUSXKM-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.45
Rot. Bonds1

About formic acid;4-phenylpyridine

formic acid;4-phenylpyridine (PubChem CID 162013415) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is formic acid;4-phenylpyridine.

Molecular Properties

Compound Nameformic acid;4-phenylpyridine
PubChem CID162013415
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Nameformic acid;4-phenylpyridine
SMILESO=CO.c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C11H9N.CH2O2/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;2-1-3/h1-9H;1H,(H,2,3)
InChIKeyYTTYHJMARUSXKM-UHFFFAOYSA-N
XLogP2.45
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;4-phenylpyridine?
The IUPAC name of formic acid;4-phenylpyridine (CID 162013415) is formic acid;4-phenylpyridine.
What is the SMILES notation for formic acid;4-phenylpyridine?
The canonical SMILES for formic acid;4-phenylpyridine is O=CO.c1ccc(-c2ccncc2)cc1.
What is the InChIKey of formic acid;4-phenylpyridine?
The InChIKey is YTTYHJMARUSXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N.CH2O2/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;2-1-3/h1-9H;1H,(H,2,3).
What are the key properties of formic acid;4-phenylpyridine?
formic acid;4-phenylpyridine has a molecular weight of 201.22 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-phenylpyridine is sourced from PubChem (CID 162013415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).