2-N-(2-fluorophenyl)-6-phenylmethoxypyridine-2,3-diamine

C18H16FN3O — CID 67313485

IUPAC2-N-(2-fluorophenyl)-6-phenylmethoxypyridine-2,3-diamine
SMILESNc1ccc(OCc2ccccc2)nc1Nc1ccccc1F
InChIInChI=1S/C18H16FN3O/c19-14-8-4-5-9-16(14)21-18-15(20)10-11-17(22-18)23-12-13-6-2-1-3-7-13/h1-11H,12,20H2,(H,21,22)
InChIKeyZEMIAXCHRJXTFH-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.13
Rot. Bonds5

About 2-N-(2-fluorophenyl)-6-phenylmethoxypyridine-2,3-diamine

2-N-(2-fluorophenyl)-6-phenylmethoxypyridine-2,3-diamine (PubChem CID 67313485) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-N-(2-fluorophenyl)-6-phenylmethoxypyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(2-fluorophenyl)-6-phenylmethoxypyridine-2,3-diamine
PubChem CID67313485
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name2-N-(2-fluorophenyl)-6-phenylmethoxypyridine-2,3-diamine
SMILESNc1ccc(OCc2ccccc2)nc1Nc1ccccc1F
InChIInChI=1S/C18H16FN3O/c19-14-8-4-5-9-16(14)21-18-15(20)10-11-17(22-18)23-12-13-6-2-1-3-7-13/h1-11H,12,20H2,(H,21,22)
InChIKeyZEMIAXCHRJXTFH-UHFFFAOYSA-N
XLogP4.13
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-fluorophenyl)-6-phenylmethoxypyridine-2,3-diamine?
The IUPAC name of 2-N-(2-fluorophenyl)-6-phenylmethoxypyridine-2,3-diamine (CID 67313485) is 2-N-(2-fluorophenyl)-6-phenylmethoxypyridine-2,3-diamine.
What is the SMILES notation for 2-N-(2-fluorophenyl)-6-phenylmethoxypyridine-2,3-diamine?
The canonical SMILES for 2-N-(2-fluorophenyl)-6-phenylmethoxypyridine-2,3-diamine is Nc1ccc(OCc2ccccc2)nc1Nc1ccccc1F.
What is the InChIKey of 2-N-(2-fluorophenyl)-6-phenylmethoxypyridine-2,3-diamine?
The InChIKey is ZEMIAXCHRJXTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-14-8-4-5-9-16(14)21-18-15(20)10-11-17(22-18)23-12-13-6-2-1-3-7-13/h1-11H,12,20H2,(H,21,22).
What are the key properties of 2-N-(2-fluorophenyl)-6-phenylmethoxypyridine-2,3-diamine?
2-N-(2-fluorophenyl)-6-phenylmethoxypyridine-2,3-diamine has a molecular weight of 309.34 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-fluorophenyl)-6-phenylmethoxypyridine-2,3-diamine is sourced from PubChem (CID 67313485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).