6,8-dibromoquinoline-2-carbonitrile

C10H4Br2N2 — CID 102941313

IUPAC6,8-dibromoquinoline-2-carbonitrile
SMILESN#Cc1ccc2cc(Br)cc(Br)c2n1
InChIInChI=1S/C10H4Br2N2/c11-7-3-6-1-2-8(5-13)14-10(6)9(12)4-7/h1-4H
InChIKeyVNRJFVPDBIEMBG-UHFFFAOYSA-N
MW311.96 g/mol
LogP3.63
Rot. Bonds

About 6,8-dibromoquinoline-2-carbonitrile

6,8-dibromoquinoline-2-carbonitrile (PubChem CID 102941313) has the molecular formula C10H4Br2N2 and a molecular weight of 311.96 g/mol. Its IUPAC name is 6,8-dibromoquinoline-2-carbonitrile.

Molecular Properties

Compound Name6,8-dibromoquinoline-2-carbonitrile
PubChem CID102941313
Molecular FormulaC10H4Br2N2
Molecular Weight311.96 g/mol
Exact Mass309.87
IUPAC Name6,8-dibromoquinoline-2-carbonitrile
SMILESN#Cc1ccc2cc(Br)cc(Br)c2n1
InChIInChI=1S/C10H4Br2N2/c11-7-3-6-1-2-8(5-13)14-10(6)9(12)4-7/h1-4H
InChIKeyVNRJFVPDBIEMBG-UHFFFAOYSA-N
XLogP3.63
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.96
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,7,8-trifluoroquinoline-2-carbonitrile
CID 82241514
8-chloro-6-iodoquinoline-2-carbonitrile
CID 107608577
8-bromo-5-methylquinoline-2-carbonitrile
CID 102941349
6-amino-5-bromopyridine-2-carbonitrile
CID 55252878
6,8-dibromo-2-butylquinoline
CID 11810047
5,8-difluoroquinoline-2-carbonitrile
CID 82241045
5-bromo-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 130748898
9-isocyano-1,10-phenanthroline-2-carbonitrile
CID 58979970
6-bromonaphthalene-2,3-dicarbonitrile
CID 784710
3,6,8-tribromoquinoline
CID 91172401
3-bromofuro[2,3-b]pyridine-6-carbonitrile
CID 10822953
7-bromophenanthrene-2-carbonitrile
CID 129104826

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromoquinoline-2-carbonitrile?
The IUPAC name of 6,8-dibromoquinoline-2-carbonitrile (CID 102941313) is 6,8-dibromoquinoline-2-carbonitrile.
What is the SMILES notation for 6,8-dibromoquinoline-2-carbonitrile?
The canonical SMILES for 6,8-dibromoquinoline-2-carbonitrile is N#Cc1ccc2cc(Br)cc(Br)c2n1.
What is the InChIKey of 6,8-dibromoquinoline-2-carbonitrile?
The InChIKey is VNRJFVPDBIEMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Br2N2/c11-7-3-6-1-2-8(5-13)14-10(6)9(12)4-7/h1-4H.
What are the key properties of 6,8-dibromoquinoline-2-carbonitrile?
6,8-dibromoquinoline-2-carbonitrile has a molecular weight of 311.96 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromoquinoline-2-carbonitrile is sourced from PubChem (CID 102941313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).