2-bromo-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4,6-difluoroaniline

C14H9BrClF2N3 — CID 115345097

IUPAC2-bromo-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4,6-difluoroaniline
SMILESFc1cc(F)c(NCc2cn3cc(Cl)ccc3n2)c(Br)c1
InChIInChI=1S/C14H9BrClF2N3/c15-11-3-9(17)4-12(18)14(11)19-5-10-7-21-6-8(16)1-2-13(21)20-10/h1-4,6-7,19H,5H2
InChIKeyJJLRUFYQTSQPMS-UHFFFAOYSA-N
MW372.60 g/mol
LogP4.64
Rot. Bonds3

About 2-bromo-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4,6-difluoroaniline

2-bromo-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4,6-difluoroaniline (PubChem CID 115345097) has the molecular formula C14H9BrClF2N3 and a molecular weight of 372.60 g/mol. Its IUPAC name is 2-bromo-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4,6-difluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4,6-difluoroaniline
PubChem CID115345097
Molecular FormulaC14H9BrClF2N3
Molecular Weight372.60 g/mol
Exact Mass370.96
IUPAC Name2-bromo-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4,6-difluoroaniline
SMILESFc1cc(F)c(NCc2cn3cc(Cl)ccc3n2)c(Br)c1
InChIInChI=1S/C14H9BrClF2N3/c15-11-3-9(17)4-12(18)14(11)19-5-10-7-21-6-8(16)1-2-13(21)20-10/h1-4,6-7,19H,5H2
InChIKeyJJLRUFYQTSQPMS-UHFFFAOYSA-N
XLogP4.64
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.60
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4,6-difluoroaniline?
The IUPAC name of 2-bromo-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4,6-difluoroaniline (CID 115345097) is 2-bromo-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4,6-difluoroaniline.
What is the SMILES notation for 2-bromo-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4,6-difluoroaniline?
The canonical SMILES for 2-bromo-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4,6-difluoroaniline is Fc1cc(F)c(NCc2cn3cc(Cl)ccc3n2)c(Br)c1.
What is the InChIKey of 2-bromo-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4,6-difluoroaniline?
The InChIKey is JJLRUFYQTSQPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF2N3/c15-11-3-9(17)4-12(18)14(11)19-5-10-7-21-6-8(16)1-2-13(21)20-10/h1-4,6-7,19H,5H2.
What are the key properties of 2-bromo-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4,6-difluoroaniline?
2-bromo-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4,6-difluoroaniline has a molecular weight of 372.60 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4,6-difluoroaniline is sourced from PubChem (CID 115345097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).