2,4-dibromo-6-(4-fluorophenyl)-5-methylpyridin-3-amine

C12H9Br2FN2 — CID 23532608

IUPAC2,4-dibromo-6-(4-fluorophenyl)-5-methylpyridin-3-amine
SMILESCc1c(-c2ccc(F)cc2)nc(Br)c(N)c1Br
InChIInChI=1S/C12H9Br2FN2/c1-6-9(13)10(16)12(14)17-11(6)7-2-4-8(15)5-3-7/h2-5H,16H2,1H3
InChIKeyIQIHWNZVHPWOSV-UHFFFAOYSA-N
MW360.02 g/mol
LogP4.30
Rot. Bonds1

About 2,4-dibromo-6-(4-fluorophenyl)-5-methylpyridin-3-amine

2,4-dibromo-6-(4-fluorophenyl)-5-methylpyridin-3-amine (PubChem CID 23532608) has the molecular formula C12H9Br2FN2 and a molecular weight of 360.02 g/mol. Its IUPAC name is 2,4-dibromo-6-(4-fluorophenyl)-5-methylpyridin-3-amine.

Molecular Properties

Compound Name2,4-dibromo-6-(4-fluorophenyl)-5-methylpyridin-3-amine
PubChem CID23532608
Molecular FormulaC12H9Br2FN2
Molecular Weight360.02 g/mol
Exact Mass357.91
IUPAC Name2,4-dibromo-6-(4-fluorophenyl)-5-methylpyridin-3-amine
SMILESCc1c(-c2ccc(F)cc2)nc(Br)c(N)c1Br
InChIInChI=1S/C12H9Br2FN2/c1-6-9(13)10(16)12(14)17-11(6)7-2-4-8(15)5-3-7/h2-5H,16H2,1H3
InChIKeyIQIHWNZVHPWOSV-UHFFFAOYSA-N
XLogP4.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.02
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(4-fluorophenyl)-5-methylpyridin-3-amine?
The IUPAC name of 2,4-dibromo-6-(4-fluorophenyl)-5-methylpyridin-3-amine (CID 23532608) is 2,4-dibromo-6-(4-fluorophenyl)-5-methylpyridin-3-amine.
What is the SMILES notation for 2,4-dibromo-6-(4-fluorophenyl)-5-methylpyridin-3-amine?
The canonical SMILES for 2,4-dibromo-6-(4-fluorophenyl)-5-methylpyridin-3-amine is Cc1c(-c2ccc(F)cc2)nc(Br)c(N)c1Br.
What is the InChIKey of 2,4-dibromo-6-(4-fluorophenyl)-5-methylpyridin-3-amine?
The InChIKey is IQIHWNZVHPWOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2FN2/c1-6-9(13)10(16)12(14)17-11(6)7-2-4-8(15)5-3-7/h2-5H,16H2,1H3.
What are the key properties of 2,4-dibromo-6-(4-fluorophenyl)-5-methylpyridin-3-amine?
2,4-dibromo-6-(4-fluorophenyl)-5-methylpyridin-3-amine has a molecular weight of 360.02 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(4-fluorophenyl)-5-methylpyridin-3-amine is sourced from PubChem (CID 23532608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).