6-chloro-3-(4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine

C14H10ClFN2 — CID 170855644

IUPAC6-chloro-3-(4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2ccc(F)cc2)c2ccc(Cl)nc21
InChIInChI=1S/C14H10ClFN2/c1-18-8-12(9-2-4-10(16)5-3-9)11-6-7-13(15)17-14(11)18/h2-8H,1H3
InChIKeyCOBUVTGQWNWDAH-UHFFFAOYSA-N
MW260.70 g/mol
LogP4.03
Rot. Bonds1

About 6-chloro-3-(4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine

6-chloro-3-(4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine (PubChem CID 170855644) has the molecular formula C14H10ClFN2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 6-chloro-3-(4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-chloro-3-(4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine
PubChem CID170855644
Molecular FormulaC14H10ClFN2
Molecular Weight260.70 g/mol
Exact Mass260.05
IUPAC Name6-chloro-3-(4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2ccc(F)cc2)c2ccc(Cl)nc21
InChIInChI=1S/C14H10ClFN2/c1-18-8-12(9-2-4-10(16)5-3-9)11-6-7-13(15)17-14(11)18/h2-8H,1H3
InChIKeyCOBUVTGQWNWDAH-UHFFFAOYSA-N
XLogP4.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine?
The IUPAC name of 6-chloro-3-(4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine (CID 170855644) is 6-chloro-3-(4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-chloro-3-(4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-chloro-3-(4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine is Cn1cc(-c2ccc(F)cc2)c2ccc(Cl)nc21.
What is the InChIKey of 6-chloro-3-(4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine?
The InChIKey is COBUVTGQWNWDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2/c1-18-8-12(9-2-4-10(16)5-3-9)11-6-7-13(15)17-14(11)18/h2-8H,1H3.
What are the key properties of 6-chloro-3-(4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine?
6-chloro-3-(4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine has a molecular weight of 260.70 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 170855644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).