2-N-[(4-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine

C13H14FN3O — CID 113286374

IUPAC2-N-[(4-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCc2ccc(F)cc2)n1
InChIInChI=1S/C13H14FN3O/c1-18-12-7-6-11(15)13(17-12)16-8-9-2-4-10(14)5-3-9/h2-7H,8,15H2,1H3,(H,16,17)
InChIKeyDDZFGWOBWGYYAD-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.42
Rot. Bonds4

About 2-N-[(4-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine

2-N-[(4-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine (PubChem CID 113286374) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-N-[(4-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[(4-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine
PubChem CID113286374
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name2-N-[(4-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCc2ccc(F)cc2)n1
InChIInChI=1S/C13H14FN3O/c1-18-12-7-6-11(15)13(17-12)16-8-9-2-4-10(14)5-3-9/h2-7H,8,15H2,1H3,(H,16,17)
InChIKeyDDZFGWOBWGYYAD-UHFFFAOYSA-N
XLogP2.42
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine?
The IUPAC name of 2-N-[(4-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine (CID 113286374) is 2-N-[(4-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine.
What is the SMILES notation for 2-N-[(4-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine?
The canonical SMILES for 2-N-[(4-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine is COc1ccc(N)c(NCc2ccc(F)cc2)n1.
What is the InChIKey of 2-N-[(4-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine?
The InChIKey is DDZFGWOBWGYYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-18-12-7-6-11(15)13(17-12)16-8-9-2-4-10(14)5-3-9/h2-7H,8,15H2,1H3,(H,16,17).
What are the key properties of 2-N-[(4-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine?
2-N-[(4-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine has a molecular weight of 247.27 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine is sourced from PubChem (CID 113286374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).