2-fluoro-1-phenyl-2H-pyrimidine

C10H9FN2 — CID 150800597

IUPAC2-fluoro-1-phenyl-2H-pyrimidine
SMILESFC1N=CC=CN1c1ccccc1
InChIInChI=1S/C10H9FN2/c11-10-12-7-4-8-13(10)9-5-2-1-3-6-9/h1-8,10H
InChIKeyKFTQRKUTXQNTKS-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.34
Rot. Bonds1

About 2-fluoro-1-phenyl-2H-pyrimidine

2-fluoro-1-phenyl-2H-pyrimidine (PubChem CID 150800597) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 2-fluoro-1-phenyl-2H-pyrimidine.

Molecular Properties

Compound Name2-fluoro-1-phenyl-2H-pyrimidine
PubChem CID150800597
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name2-fluoro-1-phenyl-2H-pyrimidine
SMILESFC1N=CC=CN1c1ccccc1
InChIInChI=1S/C10H9FN2/c11-10-12-7-4-8-13(10)9-5-2-1-3-6-9/h1-8,10H
InChIKeyKFTQRKUTXQNTKS-UHFFFAOYSA-N
XLogP2.34
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-fluoro-1-phenyl-2H-pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-phenyl-2H-pyrimidine?
The IUPAC name of 2-fluoro-1-phenyl-2H-pyrimidine (CID 150800597) is 2-fluoro-1-phenyl-2H-pyrimidine.
What is the SMILES notation for 2-fluoro-1-phenyl-2H-pyrimidine?
The canonical SMILES for 2-fluoro-1-phenyl-2H-pyrimidine is FC1N=CC=CN1c1ccccc1.
What is the InChIKey of 2-fluoro-1-phenyl-2H-pyrimidine?
The InChIKey is KFTQRKUTXQNTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c11-10-12-7-4-8-13(10)9-5-2-1-3-6-9/h1-8,10H.
What are the key properties of 2-fluoro-1-phenyl-2H-pyrimidine?
2-fluoro-1-phenyl-2H-pyrimidine has a molecular weight of 176.19 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-phenyl-2H-pyrimidine is sourced from PubChem (CID 150800597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).