3-(4-chlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile

C19H11ClN4 — CID 44573233

IUPAC3-(4-chlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(-c3ccncc3)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C19H11ClN4/c20-14-3-1-12(2-4-14)17-18(13-7-9-22-10-8-13)24-16-6-5-15(11-21)23-19(16)17/h1-10,24H
InChIKeyWLWMMWJMSQVQQQ-UHFFFAOYSA-N
MW330.78 g/mol
LogP4.82
Rot. Bonds2

About 3-(4-chlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile

3-(4-chlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile (PubChem CID 44573233) has the molecular formula C19H11ClN4 and a molecular weight of 330.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
PubChem CID44573233
Molecular FormulaC19H11ClN4
Molecular Weight330.78 g/mol
Exact Mass330.07
IUPAC Name3-(4-chlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(-c3ccncc3)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C19H11ClN4/c20-14-3-1-12(2-4-14)17-18(13-7-9-22-10-8-13)24-16-6-5-15(11-21)23-19(16)17/h1-10,24H
InChIKeyWLWMMWJMSQVQQQ-UHFFFAOYSA-N
XLogP4.82
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The IUPAC name of 3-(4-chlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile (CID 44573233) is 3-(4-chlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3-(4-chlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The canonical SMILES for 3-(4-chlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile is N#Cc1ccc2[nH]c(-c3ccncc3)c(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 3-(4-chlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The InChIKey is WLWMMWJMSQVQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN4/c20-14-3-1-12(2-4-14)17-18(13-7-9-22-10-8-13)24-16-6-5-15(11-21)23-19(16)17/h1-10,24H.
What are the key properties of 3-(4-chlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
3-(4-chlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile has a molecular weight of 330.78 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile is sourced from PubChem (CID 44573233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).