4-chloro-6-(2-fluoro-3-pyridinyl)pyrimidine

C9H5ClFN3 — CID 640828

IUPAC4-chloro-6-(2-fluoro-3-pyridinyl)pyrimidine
SMILESFc1ncccc1-c1cc(Cl)ncn1
InChIInChI=1S/C9H5ClFN3/c10-8-4-7(13-5-14-8)6-2-1-3-12-9(6)11/h1-5H
InChIKeyTVWPKHHOZGQFDW-UHFFFAOYSA-N
MW209.61 g/mol
LogP2.33
Rot. Bonds1

About 4-chloro-6-(2-fluoro-3-pyridinyl)pyrimidine

4-chloro-6-(2-fluoro-3-pyridinyl)pyrimidine (PubChem CID 640828) has the molecular formula C9H5ClFN3 and a molecular weight of 209.61 g/mol. Its IUPAC name is 4-chloro-6-(2-fluoro-3-pyridinyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-fluoro-3-pyridinyl)pyrimidine
PubChem CID640828
Molecular FormulaC9H5ClFN3
Molecular Weight209.61 g/mol
Exact Mass209.02
IUPAC Name4-chloro-6-(2-fluoro-3-pyridinyl)pyrimidine
SMILESFc1ncccc1-c1cc(Cl)ncn1
InChIInChI=1S/C9H5ClFN3/c10-8-4-7(13-5-14-8)6-2-1-3-12-9(6)11/h1-5H
InChIKeyTVWPKHHOZGQFDW-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 4-chloro-6-(2-fluoro-3-pyridinyl)pyrimidine?
The IUPAC name of 4-chloro-6-(2-fluoro-3-pyridinyl)pyrimidine (CID 640828) is 4-chloro-6-(2-fluoro-3-pyridinyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(2-fluoro-3-pyridinyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(2-fluoro-3-pyridinyl)pyrimidine is Fc1ncccc1-c1cc(Cl)ncn1.
What is the InChIKey of 4-chloro-6-(2-fluoro-3-pyridinyl)pyrimidine?
The InChIKey is TVWPKHHOZGQFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFN3/c10-8-4-7(13-5-14-8)6-2-1-3-12-9(6)11/h1-5H.
What are the key properties of 4-chloro-6-(2-fluoro-3-pyridinyl)pyrimidine?
4-chloro-6-(2-fluoro-3-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 4-chloro-6-(2-fluoro-3-pyridinyl)pyrimidine is sourced from PubChem (CID 640828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).