2-[chloro(fluoro)methyl]pyrimidine

C5H4ClFN2 — CID 54394239

IUPAC2-[chloro(fluoro)methyl]pyrimidine
SMILESFC(Cl)c1ncccn1
InChIInChI=1S/C5H4ClFN2/c6-4(7)5-8-2-1-3-9-5/h1-4H
InChIKeyVIUSCPXSRRMQDD-UHFFFAOYSA-N
MW146.55 g/mol
LogP1.68
Rot. Bonds1

About 2-[chloro(fluoro)methyl]pyrimidine

2-[chloro(fluoro)methyl]pyrimidine (PubChem CID 54394239) has the molecular formula C5H4ClFN2 and a molecular weight of 146.55 g/mol. Its IUPAC name is 2-[chloro(fluoro)methyl]pyrimidine.

Molecular Properties

Compound Name2-[chloro(fluoro)methyl]pyrimidine
PubChem CID54394239
Molecular FormulaC5H4ClFN2
Molecular Weight146.55 g/mol
Exact Mass146.00
IUPAC Name2-[chloro(fluoro)methyl]pyrimidine
SMILESFC(Cl)c1ncccn1
InChIInChI=1S/C5H4ClFN2/c6-4(7)5-8-2-1-3-9-5/h1-4H
InChIKeyVIUSCPXSRRMQDD-UHFFFAOYSA-N
XLogP1.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.55
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[chloro(fluoro)methyl]pyrimidine?
The IUPAC name of 2-[chloro(fluoro)methyl]pyrimidine (CID 54394239) is 2-[chloro(fluoro)methyl]pyrimidine.
What is the SMILES notation for 2-[chloro(fluoro)methyl]pyrimidine?
The canonical SMILES for 2-[chloro(fluoro)methyl]pyrimidine is FC(Cl)c1ncccn1.
What is the InChIKey of 2-[chloro(fluoro)methyl]pyrimidine?
The InChIKey is VIUSCPXSRRMQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClFN2/c6-4(7)5-8-2-1-3-9-5/h1-4H.
What are the key properties of 2-[chloro(fluoro)methyl]pyrimidine?
2-[chloro(fluoro)methyl]pyrimidine has a molecular weight of 146.55 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(fluoro)methyl]pyrimidine is sourced from PubChem (CID 54394239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).