4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile

Name: 4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₁₁BrN₂ — CID 151202511

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile

SMILESN#Cc1cc(-c2ccc3c(c2Br)CCC3)ccn1

InChIInChI=1S/C15H11BrN2/c16-15-13-3-1-2-10(13)4-5-14(15)11-6-7-18-12(8-11)9-17/h4-8H,1-3H2

InChIKeyNIPGSAOTCWGSSJ-UHFFFAOYSA-N

MW299.17 g/mol

LogP3.87

Rot. Bonds1

About 4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile

4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile (PubChem CID 151202511) has the molecular formula C₁₅H₁₁BrN₂ and a molecular weight of 299.17 g/mol. Its IUPAC name is 4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name	4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile
PubChem CID	151202511
Molecular Formula	C₁₅H₁₁BrN₂
Molecular Weight	299.17 g/mol
Exact Mass	298.01
IUPAC Name	4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile
SMILES	N#Cc1cc(-c2ccc3c(c2Br)CCC3)ccn1
InChI	InChI=1S/C15H11BrN2/c16-15-13-3-1-2-10(13)4-5-14(15)11-6-7-18-12(8-11)9-17/h4-8H,1-3H2
InChIKey	NIPGSAOTCWGSSJ-UHFFFAOYSA-N
XLogP	3.87
TPSA	36.68 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	299.17
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile?

The IUPAC name of 4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile (CID 151202511) is 4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile.

What is the SMILES notation for 4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile?

The canonical SMILES for 4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile is N#Cc1cc(-c2ccc3c(c2Br)CCC3)ccn1.

What is the InChIKey of 4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile?

The InChIKey is NIPGSAOTCWGSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2/c16-15-13-3-1-2-10(13)4-5-14(15)11-6-7-18-12(8-11)9-17/h4-8H,1-3H2.

What are the key properties of 4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile?

4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile has a molecular weight of 299.17 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 151202511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 151202511 — identifiers, structure, computed properties (public domain)

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