4-chloro-6-(2,3-difluorophenyl)-2-methylpyrimidine

C11H7ClF2N2 — CID 22599696

IUPAC4-chloro-6-(2,3-difluorophenyl)-2-methylpyrimidine
SMILESCc1nc(Cl)cc(-c2cccc(F)c2F)n1
InChIInChI=1S/C11H7ClF2N2/c1-6-15-9(5-10(12)16-6)7-3-2-4-8(13)11(7)14/h2-5H,1H3
InChIKeyUZQBHBKHKCAZSM-UHFFFAOYSA-N
MW240.64 g/mol
LogP3.38
Rot. Bonds1

About 4-chloro-6-(2,3-difluorophenyl)-2-methylpyrimidine

4-chloro-6-(2,3-difluorophenyl)-2-methylpyrimidine (PubChem CID 22599696) has the molecular formula C11H7ClF2N2 and a molecular weight of 240.64 g/mol. Its IUPAC name is 4-chloro-6-(2,3-difluorophenyl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,3-difluorophenyl)-2-methylpyrimidine
PubChem CID22599696
Molecular FormulaC11H7ClF2N2
Molecular Weight240.64 g/mol
Exact Mass240.03
IUPAC Name4-chloro-6-(2,3-difluorophenyl)-2-methylpyrimidine
SMILESCc1nc(Cl)cc(-c2cccc(F)c2F)n1
InChIInChI=1S/C11H7ClF2N2/c1-6-15-9(5-10(12)16-6)7-3-2-4-8(13)11(7)14/h2-5H,1H3
InChIKeyUZQBHBKHKCAZSM-UHFFFAOYSA-N
XLogP3.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.64
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,3-difluorophenyl)-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-(2,3-difluorophenyl)-2-methylpyrimidine (CID 22599696) is 4-chloro-6-(2,3-difluorophenyl)-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,3-difluorophenyl)-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,3-difluorophenyl)-2-methylpyrimidine is Cc1nc(Cl)cc(-c2cccc(F)c2F)n1.
What is the InChIKey of 4-chloro-6-(2,3-difluorophenyl)-2-methylpyrimidine?
The InChIKey is UZQBHBKHKCAZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2/c1-6-15-9(5-10(12)16-6)7-3-2-4-8(13)11(7)14/h2-5H,1H3.
What are the key properties of 4-chloro-6-(2,3-difluorophenyl)-2-methylpyrimidine?
4-chloro-6-(2,3-difluorophenyl)-2-methylpyrimidine has a molecular weight of 240.64 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,3-difluorophenyl)-2-methylpyrimidine is sourced from PubChem (CID 22599696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).