3-bromo-2-N-[2-(4-fluorophenyl)ethyl]-4-methylpyridine-2,5-diamine

C14H15BrFN3 — CID 104506243

IUPAC3-bromo-2-N-[2-(4-fluorophenyl)ethyl]-4-methylpyridine-2,5-diamine
SMILESCc1c(N)cnc(NCCc2ccc(F)cc2)c1Br
InChIInChI=1S/C14H15BrFN3/c1-9-12(17)8-19-14(13(9)15)18-7-6-10-2-4-11(16)5-3-10/h2-5,8H,6-7,17H2,1H3,(H,18,19)
InChIKeyKCUHDDFXHUOISB-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.53
Rot. Bonds4

About 3-bromo-2-N-[2-(4-fluorophenyl)ethyl]-4-methylpyridine-2,5-diamine

3-bromo-2-N-[2-(4-fluorophenyl)ethyl]-4-methylpyridine-2,5-diamine (PubChem CID 104506243) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 3-bromo-2-N-[2-(4-fluorophenyl)ethyl]-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-[2-(4-fluorophenyl)ethyl]-4-methylpyridine-2,5-diamine
PubChem CID104506243
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name3-bromo-2-N-[2-(4-fluorophenyl)ethyl]-4-methylpyridine-2,5-diamine
SMILESCc1c(N)cnc(NCCc2ccc(F)cc2)c1Br
InChIInChI=1S/C14H15BrFN3/c1-9-12(17)8-19-14(13(9)15)18-7-6-10-2-4-11(16)5-3-10/h2-5,8H,6-7,17H2,1H3,(H,18,19)
InChIKeyKCUHDDFXHUOISB-UHFFFAOYSA-N
XLogP3.53
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-[2-(4-fluorophenyl)ethyl]-4-methylpyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-[2-(4-fluorophenyl)ethyl]-4-methylpyridine-2,5-diamine (CID 104506243) is 3-bromo-2-N-[2-(4-fluorophenyl)ethyl]-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-[2-(4-fluorophenyl)ethyl]-4-methylpyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-[2-(4-fluorophenyl)ethyl]-4-methylpyridine-2,5-diamine is Cc1c(N)cnc(NCCc2ccc(F)cc2)c1Br.
What is the InChIKey of 3-bromo-2-N-[2-(4-fluorophenyl)ethyl]-4-methylpyridine-2,5-diamine?
The InChIKey is KCUHDDFXHUOISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-9-12(17)8-19-14(13(9)15)18-7-6-10-2-4-11(16)5-3-10/h2-5,8H,6-7,17H2,1H3,(H,18,19).
What are the key properties of 3-bromo-2-N-[2-(4-fluorophenyl)ethyl]-4-methylpyridine-2,5-diamine?
3-bromo-2-N-[2-(4-fluorophenyl)ethyl]-4-methylpyridine-2,5-diamine has a molecular weight of 324.20 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-[2-(4-fluorophenyl)ethyl]-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 104506243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).