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

C14H14BrF2N3O — CID 65467537

IUPAC2-N-(4-bromo-2,6-difluorophenyl)-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(Nc2c(F)cc(Br)cc2F)ccc1N
InChIInChI=1S/C14H14BrF2N3O/c1-2-5-21-14-11(18)3-4-12(20-14)19-13-9(16)6-8(15)7-10(13)17/h3-4,6-7H,2,5,18H2,1H3,(H,19,20)
InChIKeyWIJWEWRGPWMXGN-UHFFFAOYSA-N
MW358.19 g/mol
LogP4.24
Rot. Bonds5

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

2-N-(4-bromo-2,6-difluorophenyl)-6-propoxypyridine-2,5-diamine (PubChem CID 65467537) has the molecular formula C14H14BrF2N3O and a molecular weight of 358.19 g/mol. Its IUPAC name is 2-N-(4-bromo-2,6-difluorophenyl)-6-propoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-2,6-difluorophenyl)-6-propoxypyridine-2,5-diamine
PubChem CID65467537
Molecular FormulaC14H14BrF2N3O
Molecular Weight358.19 g/mol
Exact Mass357.03
IUPAC Name2-N-(4-bromo-2,6-difluorophenyl)-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(Nc2c(F)cc(Br)cc2F)ccc1N
InChIInChI=1S/C14H14BrF2N3O/c1-2-5-21-14-11(18)3-4-12(20-14)19-13-9(16)6-8(15)7-10(13)17/h3-4,6-7H,2,5,18H2,1H3,(H,19,20)
InChIKeyWIJWEWRGPWMXGN-UHFFFAOYSA-N
XLogP4.24
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.19
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-chloro-4,6-difluorophenyl)-6-propoxypyridine-2,5-diamine
CID 83072874
2-N-(3-bromo-4-fluorophenyl)-6-propoxypyridine-2,5-diamine
CID 104775522
2-N-(2,4-dibromophenyl)-6-propoxypyridine-2,5-diamine
CID 63402975
2-N-(5-bromo-2-methylphenyl)-6-propoxypyridine-2,5-diamine
CID 43805886
2-N-(2-bromo-6-fluorophenyl)-6-ethoxypyridine-2,5-diamine
CID 107596678
2-N-[(2,4-difluorophenyl)methyl]-6-propoxypyridine-2,5-diamine
CID 62229237
2-N-propan-2-yl-6-propoxypyridine-2,5-diamine
CID 43260874
6-propoxy-2-N-(2-propylphenyl)pyridine-2,5-diamine
CID 63402851
6-propoxy-2-N-thiophen-3-ylpyridine-2,5-diamine
CID 66351232
2-N-cyclopropyl-6-propoxypyridine-2,5-diamine
CID 43260902
2-N-(5-bromo-2-fluorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 43555561
2-N-[2-(dimethylamino)phenyl]-6-propoxypyridine-2,5-diamine
CID 106759477

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-2,6-difluorophenyl)-6-propoxypyridine-2,5-diamine?
The IUPAC name of 2-N-(4-bromo-2,6-difluorophenyl)-6-propoxypyridine-2,5-diamine (CID 65467537) is 2-N-(4-bromo-2,6-difluorophenyl)-6-propoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(4-bromo-2,6-difluorophenyl)-6-propoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(4-bromo-2,6-difluorophenyl)-6-propoxypyridine-2,5-diamine is CCCOc1nc(Nc2c(F)cc(Br)cc2F)ccc1N.
What is the InChIKey of 2-N-(4-bromo-2,6-difluorophenyl)-6-propoxypyridine-2,5-diamine?
The InChIKey is WIJWEWRGPWMXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2N3O/c1-2-5-21-14-11(18)3-4-12(20-14)19-13-9(16)6-8(15)7-10(13)17/h3-4,6-7H,2,5,18H2,1H3,(H,19,20).
What are the key properties of 2-N-(4-bromo-2,6-difluorophenyl)-6-propoxypyridine-2,5-diamine?
2-N-(4-bromo-2,6-difluorophenyl)-6-propoxypyridine-2,5-diamine has a molecular weight of 358.19 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromo-2,6-difluorophenyl)-6-propoxypyridine-2,5-diamine is sourced from PubChem (CID 65467537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).