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

C12H7ClFN3 — CID 172571144

IUPAC4-chloro-2-(2-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ncccc1-c1cc2c(Cl)ccnc2[nH]1
InChIInChI=1S/C12H7ClFN3/c13-9-3-5-16-12-8(9)6-10(17-12)7-2-1-4-15-11(7)14/h1-6H,(H,16,17)
InChIKeyDBRZDBDKWOFRPS-UHFFFAOYSA-N
MW247.66 g/mol
LogP3.42
Rot. Bonds1

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

4-chloro-2-(2-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 172571144) has the molecular formula C12H7ClFN3 and a molecular weight of 247.66 g/mol. Its IUPAC name is 4-chloro-2-(2-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-chloro-2-(2-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID172571144
Molecular FormulaC12H7ClFN3
Molecular Weight247.66 g/mol
Exact Mass247.03
IUPAC Name4-chloro-2-(2-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ncccc1-c1cc2c(Cl)ccnc2[nH]1
InChIInChI=1S/C12H7ClFN3/c13-9-3-5-16-12-8(9)6-10(17-12)7-2-1-4-15-11(7)14/h1-6H,(H,16,17)
InChIKeyDBRZDBDKWOFRPS-UHFFFAOYSA-N
XLogP3.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.66
LogP ≤ 53.42
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-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-chloro-2-(2-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (CID 172571144) is 4-chloro-2-(2-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-chloro-2-(2-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-chloro-2-(2-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine is Fc1ncccc1-c1cc2c(Cl)ccnc2[nH]1.
What is the InChIKey of 4-chloro-2-(2-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is DBRZDBDKWOFRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3/c13-9-3-5-16-12-8(9)6-10(17-12)7-2-1-4-15-11(7)14/h1-6H,(H,16,17).
What are the key properties of 4-chloro-2-(2-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
4-chloro-2-(2-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 247.66 g/mol, XLogP of 3.42, 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-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 172571144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).