2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carbonitrile

C17H12BrN3O2 — CID 168916731

IUPAC2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCCOc2cnc3ccc(Br)cc3c2)c1
InChIInChI=1S/C17H12BrN3O2/c18-14-1-2-16-13(8-14)9-15(11-21-16)22-5-6-23-17-7-12(10-19)3-4-20-17/h1-4,7-9,11H,5-6H2
InChIKeyIIUWDFTXNHUHFR-UHFFFAOYSA-N
MW370.21 g/mol
LogP3.72
Rot. Bonds5

About 2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carbonitrile

2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carbonitrile (PubChem CID 168916731) has the molecular formula C17H12BrN3O2 and a molecular weight of 370.21 g/mol. Its IUPAC name is 2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carbonitrile
PubChem CID168916731
Molecular FormulaC17H12BrN3O2
Molecular Weight370.21 g/mol
Exact Mass369.01
IUPAC Name2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCCOc2cnc3ccc(Br)cc3c2)c1
InChIInChI=1S/C17H12BrN3O2/c18-14-1-2-16-13(8-14)9-15(11-21-16)22-5-6-23-17-7-12(10-19)3-4-20-17/h1-4,7-9,11H,5-6H2
InChIKeyIIUWDFTXNHUHFR-UHFFFAOYSA-N
XLogP3.72
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carboxylic acid
CID 168916647
2-(2-propoxyethoxy)pyridine-4-carbonitrile
CID 63686937
2-(6-bromoquinolin-3-yl)oxyacetic acid
CID 171649153
2-(2-phenylmethoxyethoxy)pyridine-4-carbonitrile
CID 59652124
6-bromo-3-[2-(1-methylpyrazol-4-yl)ethoxy]quinoline
CID 136532737
4-[2-(6-bromoquinazolin-4-yl)oxyethoxy]benzonitrile
CID 55321352
4-(2-quinolin-6-yloxyethoxy)benzonitrile
CID 56799582
2-[2-(propan-2-ylamino)ethoxy]pyridine-4-carbonitrile
CID 62348007
2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile
CID 115505515
2-(2-piperidin-4-ylethoxy)pyridine-4-carbonitrile;hydrochloride
CID 71643682
4-[(4-bromo-2-pyridinyl)oxymethyl]benzonitrile
CID 177255631
(6-bromoquinolin-3-yl) carbamate
CID 175521488

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carbonitrile?
The IUPAC name of 2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carbonitrile (CID 168916731) is 2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carbonitrile?
The canonical SMILES for 2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carbonitrile is N#Cc1ccnc(OCCOc2cnc3ccc(Br)cc3c2)c1.
What is the InChIKey of 2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carbonitrile?
The InChIKey is IIUWDFTXNHUHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O2/c18-14-1-2-16-13(8-14)9-15(11-21-16)22-5-6-23-17-7-12(10-19)3-4-20-17/h1-4,7-9,11H,5-6H2.
What are the key properties of 2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carbonitrile?
2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carbonitrile has a molecular weight of 370.21 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carbonitrile is sourced from PubChem (CID 168916731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).