4-(4-bromothiophen-2-yl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile

C18H11BrN2OS — CID 2807448

IUPAC4-(4-bromothiophen-2-yl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile
SMILESCOc1nc2c(c(-c3cc(Br)cs3)c1C#N)Cc1ccccc1-2
InChIInChI=1S/C18H11BrN2OS/c1-22-18-14(8-20)16(15-7-11(19)9-23-15)13-6-10-4-2-3-5-12(10)17(13)21-18/h2-5,7,9H,6H2,1H3
InChIKeyWFINCTGWSYOJLU-UHFFFAOYSA-N
MW383.27 g/mol
LogP5.02
Rot. Bonds2

About 4-(4-bromothiophen-2-yl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile

4-(4-bromothiophen-2-yl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile (PubChem CID 2807448) has the molecular formula C18H11BrN2OS and a molecular weight of 383.27 g/mol. Its IUPAC name is 4-(4-bromothiophen-2-yl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-bromothiophen-2-yl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile
PubChem CID2807448
Molecular FormulaC18H11BrN2OS
Molecular Weight383.27 g/mol
Exact Mass381.98
IUPAC Name4-(4-bromothiophen-2-yl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile
SMILESCOc1nc2c(c(-c3cc(Br)cs3)c1C#N)Cc1ccccc1-2
InChIInChI=1S/C18H11BrN2OS/c1-22-18-14(8-20)16(15-7-11(19)9-23-15)13-6-10-4-2-3-5-12(10)17(13)21-18/h2-5,7,9H,6H2,1H3
InChIKeyWFINCTGWSYOJLU-UHFFFAOYSA-N
XLogP5.02
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.27
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromothiophen-2-yl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile?
The IUPAC name of 4-(4-bromothiophen-2-yl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile (CID 2807448) is 4-(4-bromothiophen-2-yl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-bromothiophen-2-yl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-bromothiophen-2-yl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile is COc1nc2c(c(-c3cc(Br)cs3)c1C#N)Cc1ccccc1-2.
What is the InChIKey of 4-(4-bromothiophen-2-yl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile?
The InChIKey is WFINCTGWSYOJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN2OS/c1-22-18-14(8-20)16(15-7-11(19)9-23-15)13-6-10-4-2-3-5-12(10)17(13)21-18/h2-5,7,9H,6H2,1H3.
What are the key properties of 4-(4-bromothiophen-2-yl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile?
4-(4-bromothiophen-2-yl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile has a molecular weight of 383.27 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromothiophen-2-yl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 2807448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).