2-chloro-4-(2-fluoro-4-pyridinyl)pyrimidine

C9H5ClFN3 — CID 640536

IUPAC2-chloro-4-(2-fluoro-4-pyridinyl)pyrimidine
SMILESFc1cc(-c2ccnc(Cl)n2)ccn1
InChIInChI=1S/C9H5ClFN3/c10-9-13-4-2-7(14-9)6-1-3-12-8(11)5-6/h1-5H
InChIKeyFDEAZDLUUDWXIE-UHFFFAOYSA-N
MW209.61 g/mol
LogP2.33
Rot. Bonds1

About 2-chloro-4-(2-fluoro-4-pyridinyl)pyrimidine

2-chloro-4-(2-fluoro-4-pyridinyl)pyrimidine (PubChem CID 640536) has the molecular formula C9H5ClFN3 and a molecular weight of 209.61 g/mol. Its IUPAC name is 2-chloro-4-(2-fluoro-4-pyridinyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-fluoro-4-pyridinyl)pyrimidine
PubChem CID640536
Molecular FormulaC9H5ClFN3
Molecular Weight209.61 g/mol
Exact Mass209.02
IUPAC Name2-chloro-4-(2-fluoro-4-pyridinyl)pyrimidine
SMILESFc1cc(-c2ccnc(Cl)n2)ccn1
InChIInChI=1S/C9H5ClFN3/c10-9-13-4-2-7(14-9)6-1-3-12-8(11)5-6/h1-5H
InChIKeyFDEAZDLUUDWXIE-UHFFFAOYSA-N
XLogP2.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.61
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-fluoro-4-pyridinyl)pyrimidine?
The IUPAC name of 2-chloro-4-(2-fluoro-4-pyridinyl)pyrimidine (CID 640536) is 2-chloro-4-(2-fluoro-4-pyridinyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(2-fluoro-4-pyridinyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(2-fluoro-4-pyridinyl)pyrimidine is Fc1cc(-c2ccnc(Cl)n2)ccn1.
What is the InChIKey of 2-chloro-4-(2-fluoro-4-pyridinyl)pyrimidine?
The InChIKey is FDEAZDLUUDWXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFN3/c10-9-13-4-2-7(14-9)6-1-3-12-8(11)5-6/h1-5H.
What are the key properties of 2-chloro-4-(2-fluoro-4-pyridinyl)pyrimidine?
2-chloro-4-(2-fluoro-4-pyridinyl)pyrimidine has a molecular weight of 209.61 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-fluoro-4-pyridinyl)pyrimidine is sourced from PubChem (CID 640536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).