formyl pyridine-4-carboxylate

C7H5NO3 — CID 54232174

IUPACformyl pyridine-4-carboxylate
SMILESO=COC(=O)c1ccncc1
InChIInChI=1S/C7H5NO3/c9-5-11-7(10)6-1-3-8-4-2-6/h1-5H
InChIKeyKFQJJLHUCUEUGH-UHFFFAOYSA-N
MW151.12 g/mol
LogP0.39
Rot. Bonds2

About formyl pyridine-4-carboxylate

formyl pyridine-4-carboxylate (PubChem CID 54232174) has the molecular formula C7H5NO3 and a molecular weight of 151.12 g/mol. Its IUPAC name is formyl pyridine-4-carboxylate.

Molecular Properties

Compound Nameformyl pyridine-4-carboxylate
PubChem CID54232174
Molecular FormulaC7H5NO3
Molecular Weight151.12 g/mol
Exact Mass151.03
IUPAC Nameformyl pyridine-4-carboxylate
SMILESO=COC(=O)c1ccncc1
InChIInChI=1S/C7H5NO3/c9-5-11-7(10)6-1-3-8-4-2-6/h1-5H
InChIKeyKFQJJLHUCUEUGH-UHFFFAOYSA-N
XLogP0.39
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

hydroxymethyl pyridine-4-carboxylate
CID 139367391
[(E)-2-pyridin-4-ylethenyl] benzoate
CID 22438748
dichloroplatinum;bis(methyl pyridine-4-carboxylate)
CID 4684281
[3-(pyridine-4-carbonyloxy)phenyl] pyridine-4-carboxylate
CID 4582342
[(E)-2-[4-(trifluoromethoxy)phenyl]prop-1-enyl] pyridine-4-carboxylate
CID 175215487
4-benzoyloxybuta-1,3-diynyl pyridine-4-carboxylate
CID 20695320
(5-formylfuran-2-yl)methyl pyridine-4-carboxylate
CID 126696505
benzhydryl pyridine-4-carboxylate
CID 891439
4-hydroxybutyl pyridine-4-carboxylate
CID 126720845
3-methylbutyl pyridine-4-carboxylate
CID 12509138
[[phenyl(pyridin-4-yl)methylidene]amino] benzoate
CID 3506400
pentyl pyridine-4-carboxylate
CID 531655

Frequently Asked Questions

What is the IUPAC name of formyl pyridine-4-carboxylate?
The IUPAC name of formyl pyridine-4-carboxylate (CID 54232174) is formyl pyridine-4-carboxylate.
What is the SMILES notation for formyl pyridine-4-carboxylate?
The canonical SMILES for formyl pyridine-4-carboxylate is O=COC(=O)c1ccncc1.
What is the InChIKey of formyl pyridine-4-carboxylate?
The InChIKey is KFQJJLHUCUEUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO3/c9-5-11-7(10)6-1-3-8-4-2-6/h1-5H.
What are the key properties of formyl pyridine-4-carboxylate?
formyl pyridine-4-carboxylate has a molecular weight of 151.12 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formyl pyridine-4-carboxylate is sourced from PubChem (CID 54232174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).