4-bromo-2-methylquinoline-8-carbonitrile

C11H7BrN2 — CID 178002793

IUPAC4-bromo-2-methylquinoline-8-carbonitrile
SMILESCc1cc(Br)c2cccc(C#N)c2n1
InChIInChI=1S/C11H7BrN2/c1-7-5-10(12)9-4-2-3-8(6-13)11(9)14-7/h2-5H,1H3
InChIKeyUKRFZQCZTGSHRP-UHFFFAOYSA-N
MW247.09 g/mol
LogP3.18
Rot. Bonds

About 4-bromo-2-methylquinoline-8-carbonitrile

4-bromo-2-methylquinoline-8-carbonitrile (PubChem CID 178002793) has the molecular formula C11H7BrN2 and a molecular weight of 247.09 g/mol. Its IUPAC name is 4-bromo-2-methylquinoline-8-carbonitrile.

Molecular Properties

Compound Name4-bromo-2-methylquinoline-8-carbonitrile
PubChem CID178002793
Molecular FormulaC11H7BrN2
Molecular Weight247.09 g/mol
Exact Mass245.98
IUPAC Name4-bromo-2-methylquinoline-8-carbonitrile
SMILESCc1cc(Br)c2cccc(C#N)c2n1
InChIInChI=1S/C11H7BrN2/c1-7-5-10(12)9-4-2-3-8(6-13)11(9)14-7/h2-5H,1H3
InChIKeyUKRFZQCZTGSHRP-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methylquinoline-8-carbonitrile?
The IUPAC name of 4-bromo-2-methylquinoline-8-carbonitrile (CID 178002793) is 4-bromo-2-methylquinoline-8-carbonitrile.
What is the SMILES notation for 4-bromo-2-methylquinoline-8-carbonitrile?
The canonical SMILES for 4-bromo-2-methylquinoline-8-carbonitrile is Cc1cc(Br)c2cccc(C#N)c2n1.
What is the InChIKey of 4-bromo-2-methylquinoline-8-carbonitrile?
The InChIKey is UKRFZQCZTGSHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2/c1-7-5-10(12)9-4-2-3-8(6-13)11(9)14-7/h2-5H,1H3.
What are the key properties of 4-bromo-2-methylquinoline-8-carbonitrile?
4-bromo-2-methylquinoline-8-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 4-bromo-2-methylquinoline-8-carbonitrile is sourced from PubChem (CID 178002793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).