2,4-dichloro-5-fluoro(213C,1,3-15N2)pyrimidine

C4HCl2FN2 — CID 71309717

IUPAC2,4-dichloro-5-fluoro(213C,1,3-15N2)pyrimidine
SMILESFc1c[15n][13c](Cl)[15n]c1Cl
InChIInChI=1S/C4HCl2FN2/c5-3-2(7)1-8-4(6)9-3/h1H/i4+1,8+1,9+1
InChIKeyWHPFEQUEHBULBW-WKPWXFLVSA-N
MW169.95 g/mol
LogP1.92
Rot. Bonds

About 2,4-dichloro-5-fluoro(213C,1,3-15N2)pyrimidine

2,4-dichloro-5-fluoro(213C,1,3-15N2)pyrimidine (PubChem CID 71309717) has the molecular formula C4HCl2FN2 and a molecular weight of 169.95 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro(213C,1,3-15N2)pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro(213C,1,3-15N2)pyrimidine
PubChem CID71309717
Molecular FormulaC4HCl2FN2
Molecular Weight169.95 g/mol
Exact Mass168.95
IUPAC Name2,4-dichloro-5-fluoro(213C,1,3-15N2)pyrimidine
SMILESFc1c[15n][13c](Cl)[15n]c1Cl
InChIInChI=1S/C4HCl2FN2/c5-3-2(7)1-8-4(6)9-3/h1H/i4+1,8+1,9+1
InChIKeyWHPFEQUEHBULBW-WKPWXFLVSA-N
XLogP1.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.95
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro(213C,1,3-15N2)pyrimidine?
The IUPAC name of 2,4-dichloro-5-fluoro(213C,1,3-15N2)pyrimidine (CID 71309717) is 2,4-dichloro-5-fluoro(213C,1,3-15N2)pyrimidine.
What is the SMILES notation for 2,4-dichloro-5-fluoro(213C,1,3-15N2)pyrimidine?
The canonical SMILES for 2,4-dichloro-5-fluoro(213C,1,3-15N2)pyrimidine is Fc1c[15n][13c](Cl)[15n]c1Cl.
What is the InChIKey of 2,4-dichloro-5-fluoro(213C,1,3-15N2)pyrimidine?
The InChIKey is WHPFEQUEHBULBW-WKPWXFLVSA-N. The full InChI is InChI=1S/C4HCl2FN2/c5-3-2(7)1-8-4(6)9-3/h1H/i4+1,8+1,9+1.
What are the key properties of 2,4-dichloro-5-fluoro(213C,1,3-15N2)pyrimidine?
2,4-dichloro-5-fluoro(213C,1,3-15N2)pyrimidine has a molecular weight of 169.95 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro(213C,1,3-15N2)pyrimidine is sourced from PubChem (CID 71309717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).