1-(3-fluoro-2-pyridinyl)-3-methylpyrazole-4-carbaldehyde

C10H8FN3O — CID 58268608

IUPAC1-(3-fluoro-2-pyridinyl)-3-methylpyrazole-4-carbaldehyde
SMILESCc1nn(-c2ncccc2F)cc1C=O
InChIInChI=1S/C10H8FN3O/c1-7-8(6-15)5-14(13-7)10-9(11)3-2-4-12-10/h2-6H,1H3
InChIKeyNZKVGGXJBGNDFR-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.53
Rot. Bonds2

About 1-(3-fluoro-2-pyridinyl)-3-methylpyrazole-4-carbaldehyde

1-(3-fluoro-2-pyridinyl)-3-methylpyrazole-4-carbaldehyde (PubChem CID 58268608) has the molecular formula C10H8FN3O and a molecular weight of 205.19 g/mol. Its IUPAC name is 1-(3-fluoro-2-pyridinyl)-3-methylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(3-fluoro-2-pyridinyl)-3-methylpyrazole-4-carbaldehyde
PubChem CID58268608
Molecular FormulaC10H8FN3O
Molecular Weight205.19 g/mol
Exact Mass205.07
IUPAC Name1-(3-fluoro-2-pyridinyl)-3-methylpyrazole-4-carbaldehyde
SMILESCc1nn(-c2ncccc2F)cc1C=O
InChIInChI=1S/C10H8FN3O/c1-7-8(6-15)5-14(13-7)10-9(11)3-2-4-12-10/h2-6H,1H3
InChIKeyNZKVGGXJBGNDFR-UHFFFAOYSA-N
XLogP1.53
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methylpyrazole-4-carbaldehyde?
The IUPAC name of 1-(3-fluoro-2-pyridinyl)-3-methylpyrazole-4-carbaldehyde (CID 58268608) is 1-(3-fluoro-2-pyridinyl)-3-methylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(3-fluoro-2-pyridinyl)-3-methylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-(3-fluoro-2-pyridinyl)-3-methylpyrazole-4-carbaldehyde is Cc1nn(-c2ncccc2F)cc1C=O.
What is the InChIKey of 1-(3-fluoro-2-pyridinyl)-3-methylpyrazole-4-carbaldehyde?
The InChIKey is NZKVGGXJBGNDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O/c1-7-8(6-15)5-14(13-7)10-9(11)3-2-4-12-10/h2-6H,1H3.
What are the key properties of 1-(3-fluoro-2-pyridinyl)-3-methylpyrazole-4-carbaldehyde?
1-(3-fluoro-2-pyridinyl)-3-methylpyrazole-4-carbaldehyde has a molecular weight of 205.19 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-pyridinyl)-3-methylpyrazole-4-carbaldehyde is sourced from PubChem (CID 58268608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).