4-chloro-1-(4-fluorobutyl)pyrrolo[3,2-c]pyridine

C11H12ClFN2 — CID 146288131

IUPAC4-chloro-1-(4-fluorobutyl)pyrrolo[3,2-c]pyridine
SMILESFCCCCn1ccc2c(Cl)nccc21
InChIInChI=1S/C11H12ClFN2/c12-11-9-4-8-15(7-2-1-5-13)10(9)3-6-14-11/h3-4,6,8H,1-2,5,7H2
InChIKeyVMQWEGZNUPGAME-UHFFFAOYSA-N
MW226.68 g/mol
LogP3.44
Rot. Bonds4

About 4-chloro-1-(4-fluorobutyl)pyrrolo[3,2-c]pyridine

4-chloro-1-(4-fluorobutyl)pyrrolo[3,2-c]pyridine (PubChem CID 146288131) has the molecular formula C11H12ClFN2 and a molecular weight of 226.68 g/mol. Its IUPAC name is 4-chloro-1-(4-fluorobutyl)pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4-chloro-1-(4-fluorobutyl)pyrrolo[3,2-c]pyridine
PubChem CID146288131
Molecular FormulaC11H12ClFN2
Molecular Weight226.68 g/mol
Exact Mass226.07
IUPAC Name4-chloro-1-(4-fluorobutyl)pyrrolo[3,2-c]pyridine
SMILESFCCCCn1ccc2c(Cl)nccc21
InChIInChI=1S/C11H12ClFN2/c12-11-9-4-8-15(7-2-1-5-13)10(9)3-6-14-11/h3-4,6,8H,1-2,5,7H2
InChIKeyVMQWEGZNUPGAME-UHFFFAOYSA-N
XLogP3.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-fluorobutyl)pyrrolo[3,2-c]pyridine?
The IUPAC name of 4-chloro-1-(4-fluorobutyl)pyrrolo[3,2-c]pyridine (CID 146288131) is 4-chloro-1-(4-fluorobutyl)pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 4-chloro-1-(4-fluorobutyl)pyrrolo[3,2-c]pyridine?
The canonical SMILES for 4-chloro-1-(4-fluorobutyl)pyrrolo[3,2-c]pyridine is FCCCCn1ccc2c(Cl)nccc21.
What is the InChIKey of 4-chloro-1-(4-fluorobutyl)pyrrolo[3,2-c]pyridine?
The InChIKey is VMQWEGZNUPGAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2/c12-11-9-4-8-15(7-2-1-5-13)10(9)3-6-14-11/h3-4,6,8H,1-2,5,7H2.
What are the key properties of 4-chloro-1-(4-fluorobutyl)pyrrolo[3,2-c]pyridine?
4-chloro-1-(4-fluorobutyl)pyrrolo[3,2-c]pyridine has a molecular weight of 226.68 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-fluorobutyl)pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 146288131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).