2-chloro-4-(3-fluorophenyl)pyrimidine

C10H6ClFN2 — CID 13072798

IUPAC2-chloro-4-(3-fluorophenyl)pyrimidine
SMILESFc1cccc(-c2ccnc(Cl)n2)c1
InChIInChI=1S/C10H6ClFN2/c11-10-13-5-4-9(14-10)7-2-1-3-8(12)6-7/h1-6H
InChIKeyGJVWQLLOLZWULX-UHFFFAOYSA-N
MW208.62 g/mol
LogP2.94
Rot. Bonds1

About 2-chloro-4-(3-fluorophenyl)pyrimidine

2-chloro-4-(3-fluorophenyl)pyrimidine (PubChem CID 13072798) has the molecular formula C10H6ClFN2 and a molecular weight of 208.62 g/mol. Its IUPAC name is 2-chloro-4-(3-fluorophenyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3-fluorophenyl)pyrimidine
PubChem CID13072798
Molecular FormulaC10H6ClFN2
Molecular Weight208.62 g/mol
Exact Mass208.02
IUPAC Name2-chloro-4-(3-fluorophenyl)pyrimidine
SMILESFc1cccc(-c2ccnc(Cl)n2)c1
InChIInChI=1S/C10H6ClFN2/c11-10-13-5-4-9(14-10)7-2-1-3-8(12)6-7/h1-6H
InChIKeyGJVWQLLOLZWULX-UHFFFAOYSA-N
XLogP2.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.62
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-fluorophenyl)pyrimidine?
The IUPAC name of 2-chloro-4-(3-fluorophenyl)pyrimidine (CID 13072798) is 2-chloro-4-(3-fluorophenyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(3-fluorophenyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(3-fluorophenyl)pyrimidine is Fc1cccc(-c2ccnc(Cl)n2)c1.
What is the InChIKey of 2-chloro-4-(3-fluorophenyl)pyrimidine?
The InChIKey is GJVWQLLOLZWULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2/c11-10-13-5-4-9(14-10)7-2-1-3-8(12)6-7/h1-6H.
What are the key properties of 2-chloro-4-(3-fluorophenyl)pyrimidine?
2-chloro-4-(3-fluorophenyl)pyrimidine has a molecular weight of 208.62 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-fluorophenyl)pyrimidine is sourced from PubChem (CID 13072798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).