2-(5-fluoro-2-pyridinyl)pyrimidine-5-carbaldehyde

C10H6FN3O — CID 79717980

IUPAC2-(5-fluoro-2-pyridinyl)pyrimidine-5-carbaldehyde
SMILESO=Cc1cnc(-c2ccc(F)cn2)nc1
InChIInChI=1S/C10H6FN3O/c11-8-1-2-9(12-5-8)10-13-3-7(6-15)4-14-10/h1-6H
InChIKeyJKDXSMSQDVHJKR-UHFFFAOYSA-N
MW203.18 g/mol
LogP1.49
Rot. Bonds2

About 2-(5-fluoro-2-pyridinyl)pyrimidine-5-carbaldehyde

2-(5-fluoro-2-pyridinyl)pyrimidine-5-carbaldehyde (PubChem CID 79717980) has the molecular formula C10H6FN3O and a molecular weight of 203.18 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)pyrimidine-5-carbaldehyde
PubChem CID79717980
Molecular FormulaC10H6FN3O
Molecular Weight203.18 g/mol
Exact Mass203.05
IUPAC Name2-(5-fluoro-2-pyridinyl)pyrimidine-5-carbaldehyde
SMILESO=Cc1cnc(-c2ccc(F)cn2)nc1
InChIInChI=1S/C10H6FN3O/c11-8-1-2-9(12-5-8)10-13-3-7(6-15)4-14-10/h1-6H
InChIKeyJKDXSMSQDVHJKR-UHFFFAOYSA-N
XLogP1.49
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 51.49
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 2-(5-fluoro-2-pyridinyl)pyrimidine-5-carbaldehyde?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)pyrimidine-5-carbaldehyde (CID 79717980) is 2-(5-fluoro-2-pyridinyl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)pyrimidine-5-carbaldehyde is O=Cc1cnc(-c2ccc(F)cn2)nc1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)pyrimidine-5-carbaldehyde?
The InChIKey is JKDXSMSQDVHJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3O/c11-8-1-2-9(12-5-8)10-13-3-7(6-15)4-14-10/h1-6H.
What are the key properties of 2-(5-fluoro-2-pyridinyl)pyrimidine-5-carbaldehyde?
2-(5-fluoro-2-pyridinyl)pyrimidine-5-carbaldehyde has a molecular weight of 203.18 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 79717980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).