4-N-(2-bromo-6-fluorophenyl)-2-N-propylpyridine-2,4-diamine

C14H15BrFN3 — CID 107604542

IUPAC4-N-(2-bromo-6-fluorophenyl)-2-N-propylpyridine-2,4-diamine
SMILESCCCNc1cc(Nc2c(F)cccc2Br)ccn1
InChIInChI=1S/C14H15BrFN3/c1-2-7-17-13-9-10(6-8-18-13)19-14-11(15)4-3-5-12(14)16/h3-6,8-9H,2,7H2,1H3,(H2,17,18,19)
InChIKeyPMFXMRSOOOQVAN-UHFFFAOYSA-N
MW324.20 g/mol
LogP4.55
Rot. Bonds5

About 4-N-(2-bromo-6-fluorophenyl)-2-N-propylpyridine-2,4-diamine

4-N-(2-bromo-6-fluorophenyl)-2-N-propylpyridine-2,4-diamine (PubChem CID 107604542) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 4-N-(2-bromo-6-fluorophenyl)-2-N-propylpyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-6-fluorophenyl)-2-N-propylpyridine-2,4-diamine
PubChem CID107604542
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name4-N-(2-bromo-6-fluorophenyl)-2-N-propylpyridine-2,4-diamine
SMILESCCCNc1cc(Nc2c(F)cccc2Br)ccn1
InChIInChI=1S/C14H15BrFN3/c1-2-7-17-13-9-10(6-8-18-13)19-14-11(15)4-3-5-12(14)16/h3-6,8-9H,2,7H2,1H3,(H2,17,18,19)
InChIKeyPMFXMRSOOOQVAN-UHFFFAOYSA-N
XLogP4.55
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-bromo-2-methylphenyl)-2-N-propylpyridine-2,4-diamine
CID 107638611
3-[[2-(propylamino)-4-pyridinyl]amino]propane-1-sulfonamide
CID 113367731
2-N-(2-bromo-6-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 107604531
4-N-(2-bromo-6-fluorophenyl)-2-propoxybenzene-1,4-diamine
CID 107596748
N-(2,6-difluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62165268
2,6-difluoro-N-propylaniline
CID 21161523
3-fluoro-N-(4-methyl-2-pyridinyl)-2-(propylamino)benzamide
CID 62650730
3-N-(2-bromo-6-fluorophenyl)-5-propoxybenzene-1,3-diamine
CID 107596767
N-(2-bromo-6-fluorophenyl)-4-(propylamino)benzamide
CID 107603351
2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881854
4-N-(2-bromo-6-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 107604672
4-N-(2-bromo-6-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 107604632

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-6-fluorophenyl)-2-N-propylpyridine-2,4-diamine?
The IUPAC name of 4-N-(2-bromo-6-fluorophenyl)-2-N-propylpyridine-2,4-diamine (CID 107604542) is 4-N-(2-bromo-6-fluorophenyl)-2-N-propylpyridine-2,4-diamine.
What is the SMILES notation for 4-N-(2-bromo-6-fluorophenyl)-2-N-propylpyridine-2,4-diamine?
The canonical SMILES for 4-N-(2-bromo-6-fluorophenyl)-2-N-propylpyridine-2,4-diamine is CCCNc1cc(Nc2c(F)cccc2Br)ccn1.
What is the InChIKey of 4-N-(2-bromo-6-fluorophenyl)-2-N-propylpyridine-2,4-diamine?
The InChIKey is PMFXMRSOOOQVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-2-7-17-13-9-10(6-8-18-13)19-14-11(15)4-3-5-12(14)16/h3-6,8-9H,2,7H2,1H3,(H2,17,18,19).
What are the key properties of 4-N-(2-bromo-6-fluorophenyl)-2-N-propylpyridine-2,4-diamine?
4-N-(2-bromo-6-fluorophenyl)-2-N-propylpyridine-2,4-diamine has a molecular weight of 324.20 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-6-fluorophenyl)-2-N-propylpyridine-2,4-diamine is sourced from PubChem (CID 107604542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).