2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile

C19H10ClFN4 — CID 44573122

IUPAC2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(-c3ccnc(Cl)c3)c(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C19H10ClFN4/c20-16-9-12(7-8-23-16)18-17(11-1-3-13(21)4-2-11)19-15(25-18)6-5-14(10-22)24-19/h1-9,25H
InChIKeyTUAAFDBIJNTBKW-UHFFFAOYSA-N
MW348.77 g/mol
LogP4.96
Rot. Bonds2

About 2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile

2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile (PubChem CID 44573122) has the molecular formula C19H10ClFN4 and a molecular weight of 348.77 g/mol. Its IUPAC name is 2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
PubChem CID44573122
Molecular FormulaC19H10ClFN4
Molecular Weight348.77 g/mol
Exact Mass348.06
IUPAC Name2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(-c3ccnc(Cl)c3)c(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C19H10ClFN4/c20-16-9-12(7-8-23-16)18-17(11-1-3-13(21)4-2-11)19-15(25-18)6-5-14(10-22)24-19/h1-9,25H
InChIKeyTUAAFDBIJNTBKW-UHFFFAOYSA-N
XLogP4.96
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.77
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The IUPAC name of 2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile (CID 44573122) is 2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile.
What is the SMILES notation for 2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The canonical SMILES for 2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile is N#Cc1ccc2[nH]c(-c3ccnc(Cl)c3)c(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The InChIKey is TUAAFDBIJNTBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClFN4/c20-16-9-12(7-8-23-16)18-17(11-1-3-13(21)4-2-11)19-15(25-18)6-5-14(10-22)24-19/h1-9,25H.
What are the key properties of 2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile has a molecular weight of 348.77 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile is sourced from PubChem (CID 44573122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).