2,6-dibromo-N,N-diethyl-3,5-difluoropyridin-4-amine

C9H10Br2F2N2 — CID 10641151

IUPAC2,6-dibromo-N,N-diethyl-3,5-difluoropyridin-4-amine
SMILESCCN(CC)c1c(F)c(Br)nc(Br)c1F
InChIInChI=1S/C9H10Br2F2N2/c1-3-15(4-2)7-5(12)8(10)14-9(11)6(7)13/h3-4H2,1-2H3
InChIKeyITVOLAGKOSUTDQ-UHFFFAOYSA-N
MW344.00 g/mol
LogP3.73
Rot. Bonds3

About 2,6-dibromo-N,N-diethyl-3,5-difluoropyridin-4-amine

2,6-dibromo-N,N-diethyl-3,5-difluoropyridin-4-amine (PubChem CID 10641151) has the molecular formula C9H10Br2F2N2 and a molecular weight of 344.00 g/mol. Its IUPAC name is 2,6-dibromo-N,N-diethyl-3,5-difluoropyridin-4-amine.

Molecular Properties

Compound Name2,6-dibromo-N,N-diethyl-3,5-difluoropyridin-4-amine
PubChem CID10641151
Molecular FormulaC9H10Br2F2N2
Molecular Weight344.00 g/mol
Exact Mass341.92
IUPAC Name2,6-dibromo-N,N-diethyl-3,5-difluoropyridin-4-amine
SMILESCCN(CC)c1c(F)c(Br)nc(Br)c1F
InChIInChI=1S/C9H10Br2F2N2/c1-3-15(4-2)7-5(12)8(10)14-9(11)6(7)13/h3-4H2,1-2H3
InChIKeyITVOLAGKOSUTDQ-UHFFFAOYSA-N
XLogP3.73
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.00
LogP ≤ 53.73
H-Bond Donors ≤ 50
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 2,6-dibromo-N,N-diethyl-3,5-difluoropyridin-4-amine?
The IUPAC name of 2,6-dibromo-N,N-diethyl-3,5-difluoropyridin-4-amine (CID 10641151) is 2,6-dibromo-N,N-diethyl-3,5-difluoropyridin-4-amine.
What is the SMILES notation for 2,6-dibromo-N,N-diethyl-3,5-difluoropyridin-4-amine?
The canonical SMILES for 2,6-dibromo-N,N-diethyl-3,5-difluoropyridin-4-amine is CCN(CC)c1c(F)c(Br)nc(Br)c1F.
What is the InChIKey of 2,6-dibromo-N,N-diethyl-3,5-difluoropyridin-4-amine?
The InChIKey is ITVOLAGKOSUTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2F2N2/c1-3-15(4-2)7-5(12)8(10)14-9(11)6(7)13/h3-4H2,1-2H3.
What are the key properties of 2,6-dibromo-N,N-diethyl-3,5-difluoropyridin-4-amine?
2,6-dibromo-N,N-diethyl-3,5-difluoropyridin-4-amine has a molecular weight of 344.00 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N,N-diethyl-3,5-difluoropyridin-4-amine is sourced from PubChem (CID 10641151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).