5-bromoquinoline-6-carbonitrile

C10H5BrN2 — CID 175111450

IUPAC5-bromoquinoline-6-carbonitrile
SMILESN#Cc1ccc2ncccc2c1Br
InChIInChI=1S/C10H5BrN2/c11-10-7(6-12)3-4-9-8(10)2-1-5-13-9/h1-5H
InChIKeyIGRPILRTGJBOHS-UHFFFAOYSA-N
MW233.07 g/mol
LogP2.87
Rot. Bonds

About 5-bromoquinoline-6-carbonitrile

5-bromoquinoline-6-carbonitrile (PubChem CID 175111450) has the molecular formula C10H5BrN2 and a molecular weight of 233.07 g/mol. Its IUPAC name is 5-bromoquinoline-6-carbonitrile.

Molecular Properties

Compound Name5-bromoquinoline-6-carbonitrile
PubChem CID175111450
Molecular FormulaC10H5BrN2
Molecular Weight233.07 g/mol
Exact Mass231.96
IUPAC Name5-bromoquinoline-6-carbonitrile
SMILESN#Cc1ccc2ncccc2c1Br
InChIInChI=1S/C10H5BrN2/c11-10-7(6-12)3-4-9-8(10)2-1-5-13-9/h1-5H
InChIKeyIGRPILRTGJBOHS-UHFFFAOYSA-N
XLogP2.87
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.07
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-6-ethoxyquinoline
CID 4197454
6-azido-5-bromoquinoline
CID 152531044
6-methoxyquinoline-5-carbonitrile
CID 603537
8-chloroquinoline-5-carbonitrile
CID 119084135
6-bromoquinoline-5-thiol
CID 136981755
5-bromoquinoline-8-carbonitrile;methane;5-methylquinoline-8-carbonitrile
CID 158963770
ethane;5-methylquinoline-8-carbonitrile
CID 143801649
3-bromopyridine-2,4-dicarbonitrile
CID 150877137
2-methyl-4-quinolin-5-yloxybenzonitrile
CID 103044749
3-bromo-2-chloropyridine-4-carbonitrile
CID 130749452
5-bromoquinoline;ethane
CID 142484600
3-bromo-2-fluoropyridine-4-carbonitrile
CID 121227725

Frequently Asked Questions

What is the IUPAC name of 5-bromoquinoline-6-carbonitrile?
The IUPAC name of 5-bromoquinoline-6-carbonitrile (CID 175111450) is 5-bromoquinoline-6-carbonitrile.
What is the SMILES notation for 5-bromoquinoline-6-carbonitrile?
The canonical SMILES for 5-bromoquinoline-6-carbonitrile is N#Cc1ccc2ncccc2c1Br.
What is the InChIKey of 5-bromoquinoline-6-carbonitrile?
The InChIKey is IGRPILRTGJBOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrN2/c11-10-7(6-12)3-4-9-8(10)2-1-5-13-9/h1-5H.
What are the key properties of 5-bromoquinoline-6-carbonitrile?
5-bromoquinoline-6-carbonitrile has a molecular weight of 233.07 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromoquinoline-6-carbonitrile is sourced from PubChem (CID 175111450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).