5-(3-ethyl-2-fluorophenyl)pyrimidine

C12H11FN2 — CID 126670993

IUPAC5-(3-ethyl-2-fluorophenyl)pyrimidine
SMILESCCc1cccc(-c2cncnc2)c1F
InChIInChI=1S/C12H11FN2/c1-2-9-4-3-5-11(12(9)13)10-6-14-8-15-7-10/h3-8H,2H2,1H3
InChIKeyKKIPFAZGOBQKFO-UHFFFAOYSA-N
MW202.23 g/mol
LogP2.85
Rot. Bonds2

About 5-(3-ethyl-2-fluorophenyl)pyrimidine

5-(3-ethyl-2-fluorophenyl)pyrimidine (PubChem CID 126670993) has the molecular formula C12H11FN2 and a molecular weight of 202.23 g/mol. Its IUPAC name is 5-(3-ethyl-2-fluorophenyl)pyrimidine.

Molecular Properties

Compound Name5-(3-ethyl-2-fluorophenyl)pyrimidine
PubChem CID126670993
Molecular FormulaC12H11FN2
Molecular Weight202.23 g/mol
Exact Mass202.09
IUPAC Name5-(3-ethyl-2-fluorophenyl)pyrimidine
SMILESCCc1cccc(-c2cncnc2)c1F
InChIInChI=1S/C12H11FN2/c1-2-9-4-3-5-11(12(9)13)10-6-14-8-15-7-10/h3-8H,2H2,1H3
InChIKeyKKIPFAZGOBQKFO-UHFFFAOYSA-N
XLogP2.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-2-fluorophenyl)pyrimidine?
The IUPAC name of 5-(3-ethyl-2-fluorophenyl)pyrimidine (CID 126670993) is 5-(3-ethyl-2-fluorophenyl)pyrimidine.
What is the SMILES notation for 5-(3-ethyl-2-fluorophenyl)pyrimidine?
The canonical SMILES for 5-(3-ethyl-2-fluorophenyl)pyrimidine is CCc1cccc(-c2cncnc2)c1F.
What is the InChIKey of 5-(3-ethyl-2-fluorophenyl)pyrimidine?
The InChIKey is KKIPFAZGOBQKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2/c1-2-9-4-3-5-11(12(9)13)10-6-14-8-15-7-10/h3-8H,2H2,1H3.
What are the key properties of 5-(3-ethyl-2-fluorophenyl)pyrimidine?
5-(3-ethyl-2-fluorophenyl)pyrimidine has a molecular weight of 202.23 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-2-fluorophenyl)pyrimidine is sourced from PubChem (CID 126670993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).