5-N-(2-fluorophenyl)-3-N,5-N-dimethylpyridine-3,5-diamine

C13H14FN3 — CID 104534108

IUPAC5-N-(2-fluorophenyl)-3-N,5-N-dimethylpyridine-3,5-diamine
SMILESCNc1cncc(N(C)c2ccccc2F)c1
InChIInChI=1S/C13H14FN3/c1-15-10-7-11(9-16-8-10)17(2)13-6-4-3-5-12(13)14/h3-9,15H,1-2H3
InChIKeyOHFXAQBICBTNCE-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.03
Rot. Bonds3

About 5-N-(2-fluorophenyl)-3-N,5-N-dimethylpyridine-3,5-diamine

5-N-(2-fluorophenyl)-3-N,5-N-dimethylpyridine-3,5-diamine (PubChem CID 104534108) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 5-N-(2-fluorophenyl)-3-N,5-N-dimethylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-fluorophenyl)-3-N,5-N-dimethylpyridine-3,5-diamine
PubChem CID104534108
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name5-N-(2-fluorophenyl)-3-N,5-N-dimethylpyridine-3,5-diamine
SMILESCNc1cncc(N(C)c2ccccc2F)c1
InChIInChI=1S/C13H14FN3/c1-15-10-7-11(9-16-8-10)17(2)13-6-4-3-5-12(13)14/h3-9,15H,1-2H3
InChIKeyOHFXAQBICBTNCE-UHFFFAOYSA-N
XLogP3.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-fluorophenyl)-3-N,5-N-dimethylpyridine-3,5-diamine?
The IUPAC name of 5-N-(2-fluorophenyl)-3-N,5-N-dimethylpyridine-3,5-diamine (CID 104534108) is 5-N-(2-fluorophenyl)-3-N,5-N-dimethylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(2-fluorophenyl)-3-N,5-N-dimethylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(2-fluorophenyl)-3-N,5-N-dimethylpyridine-3,5-diamine is CNc1cncc(N(C)c2ccccc2F)c1.
What is the InChIKey of 5-N-(2-fluorophenyl)-3-N,5-N-dimethylpyridine-3,5-diamine?
The InChIKey is OHFXAQBICBTNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-15-10-7-11(9-16-8-10)17(2)13-6-4-3-5-12(13)14/h3-9,15H,1-2H3.
What are the key properties of 5-N-(2-fluorophenyl)-3-N,5-N-dimethylpyridine-3,5-diamine?
5-N-(2-fluorophenyl)-3-N,5-N-dimethylpyridine-3,5-diamine has a molecular weight of 231.27 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-fluorophenyl)-3-N,5-N-dimethylpyridine-3,5-diamine is sourced from PubChem (CID 104534108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).