2-fluoro-6-(2-methylquinolin-6-yl)benzonitrile

C17H11FN2 — CID 114898657

IUPAC2-fluoro-6-(2-methylquinolin-6-yl)benzonitrile
SMILESCc1ccc2cc(-c3cccc(F)c3C#N)ccc2n1
InChIInChI=1S/C17H11FN2/c1-11-5-6-13-9-12(7-8-17(13)20-11)14-3-2-4-16(18)15(14)10-19/h2-9H,1H3
InChIKeyRRMUTLFKJNNABW-UHFFFAOYSA-N
MW262.29 g/mol
LogP4.22
Rot. Bonds1

About 2-fluoro-6-(2-methylquinolin-6-yl)benzonitrile

2-fluoro-6-(2-methylquinolin-6-yl)benzonitrile (PubChem CID 114898657) has the molecular formula C17H11FN2 and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-fluoro-6-(2-methylquinolin-6-yl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(2-methylquinolin-6-yl)benzonitrile
PubChem CID114898657
Molecular FormulaC17H11FN2
Molecular Weight262.29 g/mol
Exact Mass262.09
IUPAC Name2-fluoro-6-(2-methylquinolin-6-yl)benzonitrile
SMILESCc1ccc2cc(-c3cccc(F)c3C#N)ccc2n1
InChIInChI=1S/C17H11FN2/c1-11-5-6-13-9-12(7-8-17(13)20-11)14-3-2-4-16(18)15(14)10-19/h2-9H,1H3
InChIKeyRRMUTLFKJNNABW-UHFFFAOYSA-N
XLogP4.22
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-naphthalen-2-ylbenzonitrile
CID 114898467
2-fluoro-6-(4-fluoro-3-methylphenyl)benzonitrile
CID 114898472
2-(3,4-dimethylphenyl)-6-fluorobenzonitrile
CID 114898513
2-methyl-6-naphthalen-1-ylquinoline
CID 58099181
2-methyl-6-(2-methyl-3-pyridinyl)quinoline
CID 90167611
2,5-difluoro-4-(2-methylquinolin-6-yl)aniline
CID 107615923
2-fluoro-6-[4-(hydroxymethyl)phenyl]benzonitrile
CID 67529789
2-fluoro-6-(2-fluoro-5-methylphenyl)benzonitrile
CID 114898449
[3-(2-methylquinolin-6-yl)phenyl]methanamine
CID 81224971
2-fluoro-6-(4-methylsulfinylphenyl)benzonitrile
CID 59882079
2-fluoro-3-(6-methyl-3-quinolin-6-ylpyrazin-2-yl)benzonitrile
CID 165020634
2-fluoro-5-(2-methylquinolin-6-yl)benzoic acid
CID 81229925

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2-methylquinolin-6-yl)benzonitrile?
The IUPAC name of 2-fluoro-6-(2-methylquinolin-6-yl)benzonitrile (CID 114898657) is 2-fluoro-6-(2-methylquinolin-6-yl)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(2-methylquinolin-6-yl)benzonitrile?
The canonical SMILES for 2-fluoro-6-(2-methylquinolin-6-yl)benzonitrile is Cc1ccc2cc(-c3cccc(F)c3C#N)ccc2n1.
What is the InChIKey of 2-fluoro-6-(2-methylquinolin-6-yl)benzonitrile?
The InChIKey is RRMUTLFKJNNABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2/c1-11-5-6-13-9-12(7-8-17(13)20-11)14-3-2-4-16(18)15(14)10-19/h2-9H,1H3.
What are the key properties of 2-fluoro-6-(2-methylquinolin-6-yl)benzonitrile?
2-fluoro-6-(2-methylquinolin-6-yl)benzonitrile has a molecular weight of 262.29 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2-methylquinolin-6-yl)benzonitrile is sourced from PubChem (CID 114898657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).