2-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine

C16H15BrFN3 — CID 79697393

IUPAC2-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
SMILESNCCc1cn(Cc2cc(F)cc(Br)c2)c2ncccc12
InChIInChI=1S/C16H15BrFN3/c17-13-6-11(7-14(18)8-13)9-21-10-12(3-4-19)15-2-1-5-20-16(15)21/h1-2,5-8,10H,3-4,9,19H2
InChIKeyWINROIDMHFRUOL-UHFFFAOYSA-N
MW348.22 g/mol
LogP3.49
Rot. Bonds4

About 2-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine

2-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine (PubChem CID 79697393) has the molecular formula C16H15BrFN3 and a molecular weight of 348.22 g/mol. Its IUPAC name is 2-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
PubChem CID79697393
Molecular FormulaC16H15BrFN3
Molecular Weight348.22 g/mol
Exact Mass347.04
IUPAC Name2-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
SMILESNCCc1cn(Cc2cc(F)cc(Br)c2)c2ncccc12
InChIInChI=1S/C16H15BrFN3/c17-13-6-11(7-14(18)8-13)9-21-10-12(3-4-19)15-2-1-5-20-16(15)21/h1-2,5-8,10H,3-4,9,19H2
InChIKeyWINROIDMHFRUOL-UHFFFAOYSA-N
XLogP3.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 103049943
2-[1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 66413022
2-[1-[(5-bromo-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 104811080
1-[1-[(3,5-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
CID 105405146
[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66413713
2-[1-[2-(trifluoromethoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 66412425
2-[1-(4,4,4-trifluorobutyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 115518332
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 103015076
2-(1-hexylpyrrolo[2,3-b]pyridin-3-yl)ethanamine
CID 66411058
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 102617098
1-[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
CID 66411003
2-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-4-yl]ethanamine
CID 79982894

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The IUPAC name of 2-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine (CID 79697393) is 2-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The canonical SMILES for 2-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine is NCCc1cn(Cc2cc(F)cc(Br)c2)c2ncccc12.
What is the InChIKey of 2-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The InChIKey is WINROIDMHFRUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN3/c17-13-6-11(7-14(18)8-13)9-21-10-12(3-4-19)15-2-1-5-20-16(15)21/h1-2,5-8,10H,3-4,9,19H2.
What are the key properties of 2-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
2-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine has a molecular weight of 348.22 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine is sourced from PubChem (CID 79697393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).