3-bromo-2-(3-pyridin-4-ylpropyl)-1H-pyrrolo[2,3-b]pyridine

C15H14BrN3 — CID 58086150

IUPAC3-bromo-2-(3-pyridin-4-ylpropyl)-1H-pyrrolo[2,3-b]pyridine
SMILESBrc1c(CCCc2ccncc2)[nH]c2ncccc12
InChIInChI=1S/C15H14BrN3/c16-14-12-4-2-8-18-15(12)19-13(14)5-1-3-11-6-9-17-10-7-11/h2,4,6-10H,1,3,5H2,(H,18,19)
InChIKeySNZWFGWTUAHTKA-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.90
Rot. Bonds4

About 3-bromo-2-(3-pyridin-4-ylpropyl)-1H-pyrrolo[2,3-b]pyridine

3-bromo-2-(3-pyridin-4-ylpropyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58086150) has the molecular formula C15H14BrN3 and a molecular weight of 316.20 g/mol. Its IUPAC name is 3-bromo-2-(3-pyridin-4-ylpropyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-bromo-2-(3-pyridin-4-ylpropyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID58086150
Molecular FormulaC15H14BrN3
Molecular Weight316.20 g/mol
Exact Mass315.04
IUPAC Name3-bromo-2-(3-pyridin-4-ylpropyl)-1H-pyrrolo[2,3-b]pyridine
SMILESBrc1c(CCCc2ccncc2)[nH]c2ncccc12
InChIInChI=1S/C15H14BrN3/c16-14-12-4-2-8-18-15(12)19-13(14)5-1-3-11-6-9-17-10-7-11/h2,4,6-10H,1,3,5H2,(H,18,19)
InChIKeySNZWFGWTUAHTKA-UHFFFAOYSA-N
XLogP3.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-(bromomethyl)-1H-pyrrolo[2,3-b]pyridine
CID 91100432
4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine
CID 161134187
2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanol
CID 70347094
4-(5-phenoxypentyl)pyridine
CID 117060417
3-bromo-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde;methoxyethane
CID 177187823
N-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 92607537
4-(4-phenylbutyl)pyridine;hydrochloride
CID 117066828
2-methyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 58087002
5-(3-pyridin-4-ylpropoxy)quinolin-8-amine
CID 43449674
4-(6-phenylhexyl)pyridine;hydrochloride
CID 117067698
4-(6-bromohexyl)pyridine
CID 10633887
4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(3-pyridin-4-ylpropyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-bromo-2-(3-pyridin-4-ylpropyl)-1H-pyrrolo[2,3-b]pyridine (CID 58086150) is 3-bromo-2-(3-pyridin-4-ylpropyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-bromo-2-(3-pyridin-4-ylpropyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-bromo-2-(3-pyridin-4-ylpropyl)-1H-pyrrolo[2,3-b]pyridine is Brc1c(CCCc2ccncc2)[nH]c2ncccc12.
What is the InChIKey of 3-bromo-2-(3-pyridin-4-ylpropyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is SNZWFGWTUAHTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3/c16-14-12-4-2-8-18-15(12)19-13(14)5-1-3-11-6-9-17-10-7-11/h2,4,6-10H,1,3,5H2,(H,18,19).
What are the key properties of 3-bromo-2-(3-pyridin-4-ylpropyl)-1H-pyrrolo[2,3-b]pyridine?
3-bromo-2-(3-pyridin-4-ylpropyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 316.20 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(3-pyridin-4-ylpropyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58086150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).