2-N-(3-fluorophenyl)-4-methoxypyridine-2,5-diamine

C12H12FN3O — CID 84696579

IUPAC2-N-(3-fluorophenyl)-4-methoxypyridine-2,5-diamine
SMILESCOc1cc(Nc2cccc(F)c2)ncc1N
InChIInChI=1S/C12H12FN3O/c1-17-11-6-12(15-7-10(11)14)16-9-4-2-3-8(13)5-9/h2-7H,14H2,1H3,(H,15,16)
InChIKeyQYPIBFJIHSIGFP-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.56
Rot. Bonds3

About 2-N-(3-fluorophenyl)-4-methoxypyridine-2,5-diamine

2-N-(3-fluorophenyl)-4-methoxypyridine-2,5-diamine (PubChem CID 84696579) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-N-(3-fluorophenyl)-4-methoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-fluorophenyl)-4-methoxypyridine-2,5-diamine
PubChem CID84696579
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name2-N-(3-fluorophenyl)-4-methoxypyridine-2,5-diamine
SMILESCOc1cc(Nc2cccc(F)c2)ncc1N
InChIInChI=1S/C12H12FN3O/c1-17-11-6-12(15-7-10(11)14)16-9-4-2-3-8(13)5-9/h2-7H,14H2,1H3,(H,15,16)
InChIKeyQYPIBFJIHSIGFP-UHFFFAOYSA-N
XLogP2.56
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluorophenyl)-4-methoxypyridine-2,5-diamine?
The IUPAC name of 2-N-(3-fluorophenyl)-4-methoxypyridine-2,5-diamine (CID 84696579) is 2-N-(3-fluorophenyl)-4-methoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(3-fluorophenyl)-4-methoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(3-fluorophenyl)-4-methoxypyridine-2,5-diamine is COc1cc(Nc2cccc(F)c2)ncc1N.
What is the InChIKey of 2-N-(3-fluorophenyl)-4-methoxypyridine-2,5-diamine?
The InChIKey is QYPIBFJIHSIGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-17-11-6-12(15-7-10(11)14)16-9-4-2-3-8(13)5-9/h2-7H,14H2,1H3,(H,15,16).
What are the key properties of 2-N-(3-fluorophenyl)-4-methoxypyridine-2,5-diamine?
2-N-(3-fluorophenyl)-4-methoxypyridine-2,5-diamine has a molecular weight of 233.25 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluorophenyl)-4-methoxypyridine-2,5-diamine is sourced from PubChem (CID 84696579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).