8-bromo-5-methylquinoline-2-carbonitrile

C11H7BrN2 — CID 102941349

IUPAC8-bromo-5-methylquinoline-2-carbonitrile
SMILESCc1ccc(Br)c2nc(C#N)ccc12
InChIInChI=1S/C11H7BrN2/c1-7-2-5-10(12)11-9(7)4-3-8(6-13)14-11/h2-5H,1H3
InChIKeyVMNMZGVVYOOWLE-UHFFFAOYSA-N
MW247.09 g/mol
LogP3.18
Rot. Bonds

About 8-bromo-5-methylquinoline-2-carbonitrile

8-bromo-5-methylquinoline-2-carbonitrile (PubChem CID 102941349) has the molecular formula C11H7BrN2 and a molecular weight of 247.09 g/mol. Its IUPAC name is 8-bromo-5-methylquinoline-2-carbonitrile.

Molecular Properties

Compound Name8-bromo-5-methylquinoline-2-carbonitrile
PubChem CID102941349
Molecular FormulaC11H7BrN2
Molecular Weight247.09 g/mol
Exact Mass245.98
IUPAC Name8-bromo-5-methylquinoline-2-carbonitrile
SMILESCc1ccc(Br)c2nc(C#N)ccc12
InChIInChI=1S/C11H7BrN2/c1-7-2-5-10(12)11-9(7)4-3-8(6-13)14-11/h2-5H,1H3
InChIKeyVMNMZGVVYOOWLE-UHFFFAOYSA-N
XLogP3.18
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(8-bromo-5-methylquinolin-2-yl)hydrazine
CID 82758585
6-amino-5-bromopyridine-2-carbonitrile
CID 55252878
6,8-dibromoquinoline-2-carbonitrile
CID 102941313
3-bromofuro[2,3-b]pyridine-6-carbonitrile
CID 10822953
5,8-difluoroquinoline-2-carbonitrile
CID 82241045
5-bromoquinoline-8-carbonitrile;methane;5-methylquinoline-8-carbonitrile
CID 158963770
5-bromo-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 130748898
5-chloro-6-methylpyridine-2-carbonitrile
CID 57336597
3-bromo-6-methyl-2-sulfanylbenzonitrile
CID 171009713
5-amino-6-methylpyridine-2-carbonitrile;hydrochloride
CID 70701084
5-amino-6-methylpyridine-2-carbonitrile;dihydrochloride
CID 131846942
5-amino-6-methylpyridine-2-carbonitrile;ethane
CID 156814154

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-methylquinoline-2-carbonitrile?
The IUPAC name of 8-bromo-5-methylquinoline-2-carbonitrile (CID 102941349) is 8-bromo-5-methylquinoline-2-carbonitrile.
What is the SMILES notation for 8-bromo-5-methylquinoline-2-carbonitrile?
The canonical SMILES for 8-bromo-5-methylquinoline-2-carbonitrile is Cc1ccc(Br)c2nc(C#N)ccc12.
What is the InChIKey of 8-bromo-5-methylquinoline-2-carbonitrile?
The InChIKey is VMNMZGVVYOOWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2/c1-7-2-5-10(12)11-9(7)4-3-8(6-13)14-11/h2-5H,1H3.
What are the key properties of 8-bromo-5-methylquinoline-2-carbonitrile?
8-bromo-5-methylquinoline-2-carbonitrile has a molecular weight of 247.09 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-methylquinoline-2-carbonitrile is sourced from PubChem (CID 102941349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).