4-fluoro-6-phenylpyrimidine

C10H7FN2 — CID 599976

IUPAC4-fluoro-6-phenylpyrimidine
SMILESFc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C10H7FN2/c11-10-6-9(12-7-13-10)8-4-2-1-3-5-8/h1-7H
InChIKeyKQVKTNXADLUZQZ-UHFFFAOYSA-N
MW174.18 g/mol
LogP2.28
Rot. Bonds1

About 4-fluoro-6-phenylpyrimidine

4-fluoro-6-phenylpyrimidine (PubChem CID 599976) has the molecular formula C10H7FN2 and a molecular weight of 174.18 g/mol. Its IUPAC name is 4-fluoro-6-phenylpyrimidine.

Molecular Properties

Compound Name4-fluoro-6-phenylpyrimidine
PubChem CID599976
Molecular FormulaC10H7FN2
Molecular Weight174.18 g/mol
Exact Mass174.06
IUPAC Name4-fluoro-6-phenylpyrimidine
SMILESFc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C10H7FN2/c11-10-6-9(12-7-13-10)8-4-2-1-3-5-8/h1-7H
InChIKeyKQVKTNXADLUZQZ-UHFFFAOYSA-N
XLogP2.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-phenylpyrimidine?
The IUPAC name of 4-fluoro-6-phenylpyrimidine (CID 599976) is 4-fluoro-6-phenylpyrimidine.
What is the SMILES notation for 4-fluoro-6-phenylpyrimidine?
The canonical SMILES for 4-fluoro-6-phenylpyrimidine is Fc1cc(-c2ccccc2)ncn1.
What is the InChIKey of 4-fluoro-6-phenylpyrimidine?
The InChIKey is KQVKTNXADLUZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2/c11-10-6-9(12-7-13-10)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 4-fluoro-6-phenylpyrimidine?
4-fluoro-6-phenylpyrimidine has a molecular weight of 174.18 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-phenylpyrimidine is sourced from PubChem (CID 599976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).