formic acid;4-methylpyridine

C7H9NO2 — CID 162172361

IUPACformic acid;4-methylpyridine
SMILESCc1ccncc1.O=CO
InChIInChI=1S/C6H7N.CH2O2/c1-6-2-4-7-5-3-6;2-1-3/h2-5H,1H3;1H,(H,2,3)
InChIKeyZNYNZSRUTBPYQG-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.09
Rot. Bonds

About formic acid;4-methylpyridine

formic acid;4-methylpyridine (PubChem CID 162172361) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is formic acid;4-methylpyridine.

Molecular Properties

Compound Nameformic acid;4-methylpyridine
PubChem CID162172361
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Nameformic acid;4-methylpyridine
SMILESCc1ccncc1.O=CO
InChIInChI=1S/C6H7N.CH2O2/c1-6-2-4-7-5-3-6;2-1-3/h2-5H,1H3;1H,(H,2,3)
InChIKeyZNYNZSRUTBPYQG-UHFFFAOYSA-N
XLogP1.09
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.09
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-methylpyridine?
The IUPAC name of formic acid;4-methylpyridine (CID 162172361) is formic acid;4-methylpyridine.
What is the SMILES notation for formic acid;4-methylpyridine?
The canonical SMILES for formic acid;4-methylpyridine is Cc1ccncc1.O=CO.
What is the InChIKey of formic acid;4-methylpyridine?
The InChIKey is ZNYNZSRUTBPYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.CH2O2/c1-6-2-4-7-5-3-6;2-1-3/h2-5H,1H3;1H,(H,2,3).
What are the key properties of formic acid;4-methylpyridine?
formic acid;4-methylpyridine has a molecular weight of 139.15 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-methylpyridine is sourced from PubChem (CID 162172361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).