5-fluoro-6-methoxy-2-N-phenylpyridine-2,3-diamine

C12H12FN3O — CID 70979165

IUPAC5-fluoro-6-methoxy-2-N-phenylpyridine-2,3-diamine
SMILESCOc1nc(Nc2ccccc2)c(N)cc1F
InChIInChI=1S/C12H12FN3O/c1-17-12-9(13)7-10(14)11(16-12)15-8-5-3-2-4-6-8/h2-7H,14H2,1H3,(H,15,16)
InChIKeyVKQCVEHWGUPIPF-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.56
Rot. Bonds3

About 5-fluoro-6-methoxy-2-N-phenylpyridine-2,3-diamine

5-fluoro-6-methoxy-2-N-phenylpyridine-2,3-diamine (PubChem CID 70979165) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 5-fluoro-6-methoxy-2-N-phenylpyridine-2,3-diamine.

Molecular Properties

Compound Name5-fluoro-6-methoxy-2-N-phenylpyridine-2,3-diamine
PubChem CID70979165
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name5-fluoro-6-methoxy-2-N-phenylpyridine-2,3-diamine
SMILESCOc1nc(Nc2ccccc2)c(N)cc1F
InChIInChI=1S/C12H12FN3O/c1-17-12-9(13)7-10(14)11(16-12)15-8-5-3-2-4-6-8/h2-7H,14H2,1H3,(H,15,16)
InChIKeyVKQCVEHWGUPIPF-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 5-fluoro-6-methoxy-2-N-phenylpyridine-2,3-diamine?
The IUPAC name of 5-fluoro-6-methoxy-2-N-phenylpyridine-2,3-diamine (CID 70979165) is 5-fluoro-6-methoxy-2-N-phenylpyridine-2,3-diamine.
What is the SMILES notation for 5-fluoro-6-methoxy-2-N-phenylpyridine-2,3-diamine?
The canonical SMILES for 5-fluoro-6-methoxy-2-N-phenylpyridine-2,3-diamine is COc1nc(Nc2ccccc2)c(N)cc1F.
What is the InChIKey of 5-fluoro-6-methoxy-2-N-phenylpyridine-2,3-diamine?
The InChIKey is VKQCVEHWGUPIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-17-12-9(13)7-10(14)11(16-12)15-8-5-3-2-4-6-8/h2-7H,14H2,1H3,(H,15,16).
What are the key properties of 5-fluoro-6-methoxy-2-N-phenylpyridine-2,3-diamine?
5-fluoro-6-methoxy-2-N-phenylpyridine-2,3-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 5-fluoro-6-methoxy-2-N-phenylpyridine-2,3-diamine is sourced from PubChem (CID 70979165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).