N-(4-bromophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-amine

C13H12BrN3 — CID 70670511

IUPACN-(4-bromophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESBrc1ccc(Nc2cnc3c(c2)CCN3)cc1
InChIInChI=1S/C13H12BrN3/c14-10-1-3-11(4-2-10)17-12-7-9-5-6-15-13(9)16-8-12/h1-4,7-8,17H,5-6H2,(H,15,16)
InChIKeyUOJNHCFKZNMJOY-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.56
Rot. Bonds2

About N-(4-bromophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-amine

N-(4-bromophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-amine (PubChem CID 70670511) has the molecular formula C13H12BrN3 and a molecular weight of 290.16 g/mol. Its IUPAC name is N-(4-bromophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-amine
PubChem CID70670511
Molecular FormulaC13H12BrN3
Molecular Weight290.16 g/mol
Exact Mass289.02
IUPAC NameN-(4-bromophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESBrc1ccc(Nc2cnc3c(c2)CCN3)cc1
InChIInChI=1S/C13H12BrN3/c14-10-1-3-11(4-2-10)17-12-7-9-5-6-15-13(9)16-8-12/h1-4,7-8,17H,5-6H2,(H,15,16)
InChIKeyUOJNHCFKZNMJOY-UHFFFAOYSA-N
XLogP3.56
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-amine?
The IUPAC name of N-(4-bromophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-amine (CID 70670511) is N-(4-bromophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-amine.
What is the SMILES notation for N-(4-bromophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-amine?
The canonical SMILES for N-(4-bromophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-amine is Brc1ccc(Nc2cnc3c(c2)CCN3)cc1.
What is the InChIKey of N-(4-bromophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-amine?
The InChIKey is UOJNHCFKZNMJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3/c14-10-1-3-11(4-2-10)17-12-7-9-5-6-15-13(9)16-8-12/h1-4,7-8,17H,5-6H2,(H,15,16).
What are the key properties of N-(4-bromophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-amine?
N-(4-bromophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-amine has a molecular weight of 290.16 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-amine is sourced from PubChem (CID 70670511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).