4-chloro-2-(2-fluoro-6-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine

C13H9ClFN3 — CID 172571100

IUPAC4-chloro-2-(2-fluoro-6-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc(-c2cc3c(Cl)ccnc3[nH]2)cc(F)n1
InChIInChI=1S/C13H9ClFN3/c1-7-4-8(5-12(15)17-7)11-6-9-10(14)2-3-16-13(9)18-11/h2-6H,1H3,(H,16,18)
InChIKeyWTEDBIHNEUXYPR-UHFFFAOYSA-N
MW261.69 g/mol
LogP3.73
Rot. Bonds1

About 4-chloro-2-(2-fluoro-6-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine

4-chloro-2-(2-fluoro-6-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 172571100) has the molecular formula C13H9ClFN3 and a molecular weight of 261.69 g/mol. Its IUPAC name is 4-chloro-2-(2-fluoro-6-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-chloro-2-(2-fluoro-6-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID172571100
Molecular FormulaC13H9ClFN3
Molecular Weight261.69 g/mol
Exact Mass261.05
IUPAC Name4-chloro-2-(2-fluoro-6-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc(-c2cc3c(Cl)ccnc3[nH]2)cc(F)n1
InChIInChI=1S/C13H9ClFN3/c1-7-4-8(5-12(15)17-7)11-6-9-10(14)2-3-16-13(9)18-11/h2-6H,1H3,(H,16,18)
InChIKeyWTEDBIHNEUXYPR-UHFFFAOYSA-N
XLogP3.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
LogP ≤ 53.73
H-Bond Donors ≤ 51
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 4-chloro-2-(2-fluoro-6-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-chloro-2-(2-fluoro-6-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (CID 172571100) is 4-chloro-2-(2-fluoro-6-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-chloro-2-(2-fluoro-6-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-chloro-2-(2-fluoro-6-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine is Cc1cc(-c2cc3c(Cl)ccnc3[nH]2)cc(F)n1.
What is the InChIKey of 4-chloro-2-(2-fluoro-6-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is WTEDBIHNEUXYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3/c1-7-4-8(5-12(15)17-7)11-6-9-10(14)2-3-16-13(9)18-11/h2-6H,1H3,(H,16,18).
What are the key properties of 4-chloro-2-(2-fluoro-6-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
4-chloro-2-(2-fluoro-6-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 261.69 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-fluoro-6-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 172571100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).