1-(3-fluoro-2-pyridinyl)-3-(methoxymethyl)pyrazole-4-carbaldehyde

C11H10FN3O2 — CID 58268544

IUPAC1-(3-fluoro-2-pyridinyl)-3-(methoxymethyl)pyrazole-4-carbaldehyde
SMILESCOCc1nn(-c2ncccc2F)cc1C=O
InChIInChI=1S/C11H10FN3O2/c1-17-7-10-8(6-16)5-15(14-10)11-9(12)3-2-4-13-11/h2-6H,7H2,1H3
InChIKeyRLNKNKZRUOLVKT-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.37
Rot. Bonds4

About 1-(3-fluoro-2-pyridinyl)-3-(methoxymethyl)pyrazole-4-carbaldehyde

1-(3-fluoro-2-pyridinyl)-3-(methoxymethyl)pyrazole-4-carbaldehyde (PubChem CID 58268544) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 1-(3-fluoro-2-pyridinyl)-3-(methoxymethyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(3-fluoro-2-pyridinyl)-3-(methoxymethyl)pyrazole-4-carbaldehyde
PubChem CID58268544
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name1-(3-fluoro-2-pyridinyl)-3-(methoxymethyl)pyrazole-4-carbaldehyde
SMILESCOCc1nn(-c2ncccc2F)cc1C=O
InChIInChI=1S/C11H10FN3O2/c1-17-7-10-8(6-16)5-15(14-10)11-9(12)3-2-4-13-11/h2-6H,7H2,1H3
InChIKeyRLNKNKZRUOLVKT-UHFFFAOYSA-N
XLogP1.37
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-pyridinyl)-3-(methoxymethyl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(3-fluoro-2-pyridinyl)-3-(methoxymethyl)pyrazole-4-carbaldehyde (CID 58268544) is 1-(3-fluoro-2-pyridinyl)-3-(methoxymethyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(3-fluoro-2-pyridinyl)-3-(methoxymethyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(3-fluoro-2-pyridinyl)-3-(methoxymethyl)pyrazole-4-carbaldehyde is COCc1nn(-c2ncccc2F)cc1C=O.
What is the InChIKey of 1-(3-fluoro-2-pyridinyl)-3-(methoxymethyl)pyrazole-4-carbaldehyde?
The InChIKey is RLNKNKZRUOLVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-17-7-10-8(6-16)5-15(14-10)11-9(12)3-2-4-13-11/h2-6H,7H2,1H3.
What are the key properties of 1-(3-fluoro-2-pyridinyl)-3-(methoxymethyl)pyrazole-4-carbaldehyde?
1-(3-fluoro-2-pyridinyl)-3-(methoxymethyl)pyrazole-4-carbaldehyde has a molecular weight of 235.22 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-pyridinyl)-3-(methoxymethyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 58268544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).