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

C19H10Cl2N4 — CID 44573173

IUPAC3-(3,5-dichlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(-c3ccncc3)c(-c3cc(Cl)cc(Cl)c3)c2n1
InChIInChI=1S/C19H10Cl2N4/c20-13-7-12(8-14(21)9-13)17-18(11-3-5-23-6-4-11)25-16-2-1-15(10-22)24-19(16)17/h1-9,25H
InChIKeyAJTIEFRBXKZDMY-UHFFFAOYSA-N
MW365.22 g/mol
LogP5.47
Rot. Bonds2

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

3-(3,5-dichlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile (PubChem CID 44573173) has the molecular formula C19H10Cl2N4 and a molecular weight of 365.22 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
PubChem CID44573173
Molecular FormulaC19H10Cl2N4
Molecular Weight365.22 g/mol
Exact Mass364.03
IUPAC Name3-(3,5-dichlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(-c3ccncc3)c(-c3cc(Cl)cc(Cl)c3)c2n1
InChIInChI=1S/C19H10Cl2N4/c20-13-7-12(8-14(21)9-13)17-18(11-3-5-23-6-4-11)25-16-2-1-15(10-22)24-19(16)17/h1-9,25H
InChIKeyAJTIEFRBXKZDMY-UHFFFAOYSA-N
XLogP5.47
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.22
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The IUPAC name of 3-(3,5-dichlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile (CID 44573173) is 3-(3,5-dichlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The canonical SMILES for 3-(3,5-dichlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile is N#Cc1ccc2[nH]c(-c3ccncc3)c(-c3cc(Cl)cc(Cl)c3)c2n1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The InChIKey is AJTIEFRBXKZDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl2N4/c20-13-7-12(8-14(21)9-13)17-18(11-3-5-23-6-4-11)25-16-2-1-15(10-22)24-19(16)17/h1-9,25H.
What are the key properties of 3-(3,5-dichlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
3-(3,5-dichlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile has a molecular weight of 365.22 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile is sourced from PubChem (CID 44573173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).