2-N-(3-bromo-4-fluorophenyl)-6-propoxypyridine-2,5-diamine

C14H15BrFN3O — CID 104775522

IUPAC2-N-(3-bromo-4-fluorophenyl)-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(Nc2ccc(F)c(Br)c2)ccc1N
InChIInChI=1S/C14H15BrFN3O/c1-2-7-20-14-12(17)5-6-13(19-14)18-9-3-4-11(16)10(15)8-9/h3-6,8H,2,7,17H2,1H3,(H,18,19)
InChIKeyGMVAJQCEMXSGSI-UHFFFAOYSA-N
MW340.20 g/mol
LogP4.10
Rot. Bonds5

About 2-N-(3-bromo-4-fluorophenyl)-6-propoxypyridine-2,5-diamine

2-N-(3-bromo-4-fluorophenyl)-6-propoxypyridine-2,5-diamine (PubChem CID 104775522) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is 2-N-(3-bromo-4-fluorophenyl)-6-propoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-bromo-4-fluorophenyl)-6-propoxypyridine-2,5-diamine
PubChem CID104775522
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC Name2-N-(3-bromo-4-fluorophenyl)-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(Nc2ccc(F)c(Br)c2)ccc1N
InChIInChI=1S/C14H15BrFN3O/c1-2-7-20-14-12(17)5-6-13(19-14)18-9-3-4-11(16)10(15)8-9/h3-6,8H,2,7,17H2,1H3,(H,18,19)
InChIKeyGMVAJQCEMXSGSI-UHFFFAOYSA-N
XLogP4.10
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromo-4-fluorophenyl)-6-propoxypyridine-2,5-diamine?
The IUPAC name of 2-N-(3-bromo-4-fluorophenyl)-6-propoxypyridine-2,5-diamine (CID 104775522) is 2-N-(3-bromo-4-fluorophenyl)-6-propoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(3-bromo-4-fluorophenyl)-6-propoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(3-bromo-4-fluorophenyl)-6-propoxypyridine-2,5-diamine is CCCOc1nc(Nc2ccc(F)c(Br)c2)ccc1N.
What is the InChIKey of 2-N-(3-bromo-4-fluorophenyl)-6-propoxypyridine-2,5-diamine?
The InChIKey is GMVAJQCEMXSGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c1-2-7-20-14-12(17)5-6-13(19-14)18-9-3-4-11(16)10(15)8-9/h3-6,8H,2,7,17H2,1H3,(H,18,19).
What are the key properties of 2-N-(3-bromo-4-fluorophenyl)-6-propoxypyridine-2,5-diamine?
2-N-(3-bromo-4-fluorophenyl)-6-propoxypyridine-2,5-diamine has a molecular weight of 340.20 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromo-4-fluorophenyl)-6-propoxypyridine-2,5-diamine is sourced from PubChem (CID 104775522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).