2-N-(2-fluorophenyl)-2-N,4-dimethylpyridine-2,5-diamine

C13H14FN3 — CID 79176501

IUPAC2-N-(2-fluorophenyl)-2-N,4-dimethylpyridine-2,5-diamine
SMILESCc1cc(N(C)c2ccccc2F)ncc1N
InChIInChI=1S/C13H14FN3/c1-9-7-13(16-8-11(9)15)17(2)12-6-4-3-5-10(12)14/h3-8H,15H2,1-2H3
InChIKeyPDVPDZJNMXYGHC-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.88
Rot. Bonds2

About 2-N-(2-fluorophenyl)-2-N,4-dimethylpyridine-2,5-diamine

2-N-(2-fluorophenyl)-2-N,4-dimethylpyridine-2,5-diamine (PubChem CID 79176501) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-N-(2-fluorophenyl)-2-N,4-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-fluorophenyl)-2-N,4-dimethylpyridine-2,5-diamine
PubChem CID79176501
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name2-N-(2-fluorophenyl)-2-N,4-dimethylpyridine-2,5-diamine
SMILESCc1cc(N(C)c2ccccc2F)ncc1N
InChIInChI=1S/C13H14FN3/c1-9-7-13(16-8-11(9)15)17(2)12-6-4-3-5-10(12)14/h3-8H,15H2,1-2H3
InChIKeyPDVPDZJNMXYGHC-UHFFFAOYSA-N
XLogP2.88
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-fluorophenyl)-2-N,4-dimethylpyridine-2,5-diamine?
The IUPAC name of 2-N-(2-fluorophenyl)-2-N,4-dimethylpyridine-2,5-diamine (CID 79176501) is 2-N-(2-fluorophenyl)-2-N,4-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2-fluorophenyl)-2-N,4-dimethylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(2-fluorophenyl)-2-N,4-dimethylpyridine-2,5-diamine is Cc1cc(N(C)c2ccccc2F)ncc1N.
What is the InChIKey of 2-N-(2-fluorophenyl)-2-N,4-dimethylpyridine-2,5-diamine?
The InChIKey is PDVPDZJNMXYGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-9-7-13(16-8-11(9)15)17(2)12-6-4-3-5-10(12)14/h3-8H,15H2,1-2H3.
What are the key properties of 2-N-(2-fluorophenyl)-2-N,4-dimethylpyridine-2,5-diamine?
2-N-(2-fluorophenyl)-2-N,4-dimethylpyridine-2,5-diamine has a molecular weight of 231.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-fluorophenyl)-2-N,4-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 79176501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).