3,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine

C13H10Br2F2N2 — CID 113413696

IUPAC3,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine
SMILESFc1cc(F)cc(CCNc2ncc(Br)cc2Br)c1
InChIInChI=1S/C13H10Br2F2N2/c14-9-5-12(15)13(19-7-9)18-2-1-8-3-10(16)6-11(17)4-8/h3-7H,1-2H2,(H,18,19)
InChIKeyWIBOVNJFNQDQEX-UHFFFAOYSA-N
MW392.04 g/mol
LogP4.54
Rot. Bonds4

About 3,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine

3,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine (PubChem CID 113413696) has the molecular formula C13H10Br2F2N2 and a molecular weight of 392.04 g/mol. Its IUPAC name is 3,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine
PubChem CID113413696
Molecular FormulaC13H10Br2F2N2
Molecular Weight392.04 g/mol
Exact Mass389.92
IUPAC Name3,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine
SMILESFc1cc(F)cc(CCNc2ncc(Br)cc2Br)c1
InChIInChI=1S/C13H10Br2F2N2/c14-9-5-12(15)13(19-7-9)18-2-1-8-3-10(16)6-11(17)4-8/h3-7H,1-2H2,(H,18,19)
InChIKeyWIBOVNJFNQDQEX-UHFFFAOYSA-N
XLogP4.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.04
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79719091
5-bromo-3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine
CID 103582503
5-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrimidin-4-amine
CID 79073377
5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-2-hydrazinylpyrimidin-4-amine
CID 80918985
3-bromo-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridin-2-amine
CID 114835604
5-bromo-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79718767
5-bromo-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80803729
5-bromo-3-chloro-N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine
CID 103582390
3,5-dibromo-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine
CID 113413714
3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrazin-2-amine
CID 62615088
3,5-dibromo-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridin-2-amine
CID 107488677
3,5-dibromo-N-(2,4,6-trifluorophenyl)pyridin-2-amine
CID 113413846

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine?
The IUPAC name of 3,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine (CID 113413696) is 3,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 3,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine is Fc1cc(F)cc(CCNc2ncc(Br)cc2Br)c1.
What is the InChIKey of 3,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine?
The InChIKey is WIBOVNJFNQDQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2F2N2/c14-9-5-12(15)13(19-7-9)18-2-1-8-3-10(16)6-11(17)4-8/h3-7H,1-2H2,(H,18,19).
What are the key properties of 3,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine?
3,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine has a molecular weight of 392.04 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 113413696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).