6-N-(3-chloro-2-fluorophenyl)-3,5-difluoropyridine-2,6-diamine

C11H7ClF3N3 — CID 114073969

IUPAC6-N-(3-chloro-2-fluorophenyl)-3,5-difluoropyridine-2,6-diamine
SMILESNc1nc(Nc2cccc(Cl)c2F)c(F)cc1F
InChIInChI=1S/C11H7ClF3N3/c12-5-2-1-3-8(9(5)15)17-11-7(14)4-6(13)10(16)18-11/h1-4H,(H3,16,17,18)
InChIKeyGXBVKXHMMLAFPO-UHFFFAOYSA-N
MW273.65 g/mol
LogP3.48
Rot. Bonds2

About 6-N-(3-chloro-2-fluorophenyl)-3,5-difluoropyridine-2,6-diamine

6-N-(3-chloro-2-fluorophenyl)-3,5-difluoropyridine-2,6-diamine (PubChem CID 114073969) has the molecular formula C11H7ClF3N3 and a molecular weight of 273.65 g/mol. Its IUPAC name is 6-N-(3-chloro-2-fluorophenyl)-3,5-difluoropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3-chloro-2-fluorophenyl)-3,5-difluoropyridine-2,6-diamine
PubChem CID114073969
Molecular FormulaC11H7ClF3N3
Molecular Weight273.65 g/mol
Exact Mass273.03
IUPAC Name6-N-(3-chloro-2-fluorophenyl)-3,5-difluoropyridine-2,6-diamine
SMILESNc1nc(Nc2cccc(Cl)c2F)c(F)cc1F
InChIInChI=1S/C11H7ClF3N3/c12-5-2-1-3-8(9(5)15)17-11-7(14)4-6(13)10(16)18-11/h1-4H,(H3,16,17,18)
InChIKeyGXBVKXHMMLAFPO-UHFFFAOYSA-N
XLogP3.48
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.65
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chloro-2-fluorophenyl)-3,5-difluoropyridine-2,6-diamine?
The IUPAC name of 6-N-(3-chloro-2-fluorophenyl)-3,5-difluoropyridine-2,6-diamine (CID 114073969) is 6-N-(3-chloro-2-fluorophenyl)-3,5-difluoropyridine-2,6-diamine.
What is the SMILES notation for 6-N-(3-chloro-2-fluorophenyl)-3,5-difluoropyridine-2,6-diamine?
The canonical SMILES for 6-N-(3-chloro-2-fluorophenyl)-3,5-difluoropyridine-2,6-diamine is Nc1nc(Nc2cccc(Cl)c2F)c(F)cc1F.
What is the InChIKey of 6-N-(3-chloro-2-fluorophenyl)-3,5-difluoropyridine-2,6-diamine?
The InChIKey is GXBVKXHMMLAFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3/c12-5-2-1-3-8(9(5)15)17-11-7(14)4-6(13)10(16)18-11/h1-4H,(H3,16,17,18).
What are the key properties of 6-N-(3-chloro-2-fluorophenyl)-3,5-difluoropyridine-2,6-diamine?
6-N-(3-chloro-2-fluorophenyl)-3,5-difluoropyridine-2,6-diamine has a molecular weight of 273.65 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chloro-2-fluorophenyl)-3,5-difluoropyridine-2,6-diamine is sourced from PubChem (CID 114073969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).