2-chloro-4-(3-chloro-4-fluorophenyl)-5-fluoropyrimidine

C10H4Cl2F2N2 — CID 86219997

IUPAC2-chloro-4-(3-chloro-4-fluorophenyl)-5-fluoropyrimidine
SMILESFc1ccc(-c2nc(Cl)ncc2F)cc1Cl
InChIInChI=1S/C10H4Cl2F2N2/c11-6-3-5(1-2-7(6)13)9-8(14)4-15-10(12)16-9/h1-4H
InChIKeyNRPZQAQXZGHNLV-UHFFFAOYSA-N
MW261.06 g/mol
LogP3.73
Rot. Bonds1

About 2-chloro-4-(3-chloro-4-fluorophenyl)-5-fluoropyrimidine

2-chloro-4-(3-chloro-4-fluorophenyl)-5-fluoropyrimidine (PubChem CID 86219997) has the molecular formula C10H4Cl2F2N2 and a molecular weight of 261.06 g/mol. Its IUPAC name is 2-chloro-4-(3-chloro-4-fluorophenyl)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3-chloro-4-fluorophenyl)-5-fluoropyrimidine
PubChem CID86219997
Molecular FormulaC10H4Cl2F2N2
Molecular Weight261.06 g/mol
Exact Mass259.97
IUPAC Name2-chloro-4-(3-chloro-4-fluorophenyl)-5-fluoropyrimidine
SMILESFc1ccc(-c2nc(Cl)ncc2F)cc1Cl
InChIInChI=1S/C10H4Cl2F2N2/c11-6-3-5(1-2-7(6)13)9-8(14)4-15-10(12)16-9/h1-4H
InChIKeyNRPZQAQXZGHNLV-UHFFFAOYSA-N
XLogP3.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.06
LogP ≤ 53.73
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-chloro-4-fluorophenyl)-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-(3-chloro-4-fluorophenyl)-5-fluoropyrimidine (CID 86219997) is 2-chloro-4-(3-chloro-4-fluorophenyl)-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-(3-chloro-4-fluorophenyl)-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-(3-chloro-4-fluorophenyl)-5-fluoropyrimidine is Fc1ccc(-c2nc(Cl)ncc2F)cc1Cl.
What is the InChIKey of 2-chloro-4-(3-chloro-4-fluorophenyl)-5-fluoropyrimidine?
The InChIKey is NRPZQAQXZGHNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2F2N2/c11-6-3-5(1-2-7(6)13)9-8(14)4-15-10(12)16-9/h1-4H.
What are the key properties of 2-chloro-4-(3-chloro-4-fluorophenyl)-5-fluoropyrimidine?
2-chloro-4-(3-chloro-4-fluorophenyl)-5-fluoropyrimidine has a molecular weight of 261.06 g/mol, XLogP of 3.73, 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-chloro-4-fluorophenyl)-5-fluoropyrimidine is sourced from PubChem (CID 86219997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).