4-[2-(2-bromopropyl)pyrrolidin-1-yl]-1-methylimidazo[4,5-c]pyridine

C14H19BrN4 — CID 112748165

IUPAC4-[2-(2-bromopropyl)pyrrolidin-1-yl]-1-methylimidazo[4,5-c]pyridine
SMILESCC(Br)CC1CCCN1c1nccc2c1ncn2C
InChIInChI=1S/C14H19BrN4/c1-10(15)8-11-4-3-7-19(11)14-13-12(5-6-16-14)18(2)9-17-13/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyFTJZCSLGAPSZSO-UHFFFAOYSA-N
MW323.24 g/mol
LogP3.11
Rot. Bonds3

About 4-[2-(2-bromopropyl)pyrrolidin-1-yl]-1-methylimidazo[4,5-c]pyridine

4-[2-(2-bromopropyl)pyrrolidin-1-yl]-1-methylimidazo[4,5-c]pyridine (PubChem CID 112748165) has the molecular formula C14H19BrN4 and a molecular weight of 323.24 g/mol. Its IUPAC name is 4-[2-(2-bromopropyl)pyrrolidin-1-yl]-1-methylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-[2-(2-bromopropyl)pyrrolidin-1-yl]-1-methylimidazo[4,5-c]pyridine
PubChem CID112748165
Molecular FormulaC14H19BrN4
Molecular Weight323.24 g/mol
Exact Mass322.08
IUPAC Name4-[2-(2-bromopropyl)pyrrolidin-1-yl]-1-methylimidazo[4,5-c]pyridine
SMILESCC(Br)CC1CCCN1c1nccc2c1ncn2C
InChIInChI=1S/C14H19BrN4/c1-10(15)8-11-4-3-7-19(11)14-13-12(5-6-16-14)18(2)9-17-13/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyFTJZCSLGAPSZSO-UHFFFAOYSA-N
XLogP3.11
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-bromopropyl)pyrrolidin-1-yl]-1-methylimidazo[4,5-c]pyridine?
The IUPAC name of 4-[2-(2-bromopropyl)pyrrolidin-1-yl]-1-methylimidazo[4,5-c]pyridine (CID 112748165) is 4-[2-(2-bromopropyl)pyrrolidin-1-yl]-1-methylimidazo[4,5-c]pyridine.
What is the SMILES notation for 4-[2-(2-bromopropyl)pyrrolidin-1-yl]-1-methylimidazo[4,5-c]pyridine?
The canonical SMILES for 4-[2-(2-bromopropyl)pyrrolidin-1-yl]-1-methylimidazo[4,5-c]pyridine is CC(Br)CC1CCCN1c1nccc2c1ncn2C.
What is the InChIKey of 4-[2-(2-bromopropyl)pyrrolidin-1-yl]-1-methylimidazo[4,5-c]pyridine?
The InChIKey is FTJZCSLGAPSZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4/c1-10(15)8-11-4-3-7-19(11)14-13-12(5-6-16-14)18(2)9-17-13/h5-6,9-11H,3-4,7-8H2,1-2H3.
What are the key properties of 4-[2-(2-bromopropyl)pyrrolidin-1-yl]-1-methylimidazo[4,5-c]pyridine?
4-[2-(2-bromopropyl)pyrrolidin-1-yl]-1-methylimidazo[4,5-c]pyridine has a molecular weight of 323.24 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bromopropyl)pyrrolidin-1-yl]-1-methylimidazo[4,5-c]pyridine is sourced from PubChem (CID 112748165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).