3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine

C12H15BrN2 — CID 59362853

IUPAC3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine
SMILESBrCCCCCc1c[nH]c2ncccc12
InChIInChI=1S/C12H15BrN2/c13-7-3-1-2-5-10-9-15-12-11(10)6-4-8-14-12/h4,6,8-9H,1-3,5,7H2,(H,14,15)
InChIKeyNMSOXTOIKVDZMC-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.67
Rot. Bonds5

About 3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine

3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59362853) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID59362853
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine
SMILESBrCCCCCc1c[nH]c2ncccc12
InChIInChI=1S/C12H15BrN2/c13-7-3-1-2-5-10-9-15-12-11(10)6-4-8-14-12/h4,6,8-9H,1-3,5,7H2,(H,14,15)
InChIKeyNMSOXTOIKVDZMC-UHFFFAOYSA-N
XLogP3.67
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

CID 89301473
CID 89301473
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
ethane;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile
CID 91517846
2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 59506885
1-(diaminomethylidene)-2-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine
CID 134604131
3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine
CID 142204589
N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144795
3-(azidomethyl)-1H-pyrrolo[2,3-b]pyridine
CID 86671429
2-bromo-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144800
2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol
CID 66932650
(2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol
CID 135394624
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-5-amine
CID 107587617

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine (CID 59362853) is 3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine is BrCCCCCc1c[nH]c2ncccc12.
What is the InChIKey of 3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NMSOXTOIKVDZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c13-7-3-1-2-5-10-9-15-12-11(10)6-4-8-14-12/h4,6,8-9H,1-3,5,7H2,(H,14,15).
What are the key properties of 3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine?
3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 267.17 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59362853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).