3-formylpyridine-4-carboximidamide

C7H7N3O — CID 173421409

IUPAC3-formylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccncc1C=O
InChIInChI=1S/C7H7N3O/c8-7(9)6-1-2-10-3-5(6)4-11/h1-4H,(H3,8,9)
InChIKeyCPLRHMVRPFWHLF-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.18
Rot. Bonds2

About 3-formylpyridine-4-carboximidamide

3-formylpyridine-4-carboximidamide (PubChem CID 173421409) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 3-formylpyridine-4-carboximidamide.

Molecular Properties

Compound Name3-formylpyridine-4-carboximidamide
PubChem CID173421409
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name3-formylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccncc1C=O
InChIInChI=1S/C7H7N3O/c8-7(9)6-1-2-10-3-5(6)4-11/h1-4H,(H3,8,9)
InChIKeyCPLRHMVRPFWHLF-UHFFFAOYSA-N
XLogP0.18
TPSA79.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-formylpyridine-4-carboximidamide?
The IUPAC name of 3-formylpyridine-4-carboximidamide (CID 173421409) is 3-formylpyridine-4-carboximidamide.
What is the SMILES notation for 3-formylpyridine-4-carboximidamide?
The canonical SMILES for 3-formylpyridine-4-carboximidamide is [H]/N=C(\N)c1ccncc1C=O.
What is the InChIKey of 3-formylpyridine-4-carboximidamide?
The InChIKey is CPLRHMVRPFWHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c8-7(9)6-1-2-10-3-5(6)4-11/h1-4H,(H3,8,9).
What are the key properties of 3-formylpyridine-4-carboximidamide?
3-formylpyridine-4-carboximidamide has a molecular weight of 149.15 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formylpyridine-4-carboximidamide is sourced from PubChem (CID 173421409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).