3-fluoro-5-(2-methylquinolin-7-yl)benzonitrile

C17H11FN2 — CID 23661671

IUPAC3-fluoro-5-(2-methylquinolin-7-yl)benzonitrile
SMILESCc1ccc2ccc(-c3cc(F)cc(C#N)c3)cc2n1
InChIInChI=1S/C17H11FN2/c1-11-2-3-13-4-5-14(9-17(13)20-11)15-6-12(10-19)7-16(18)8-15/h2-9H,1H3
InChIKeySDOLISUYGVMVBK-UHFFFAOYSA-N
MW262.29 g/mol
LogP4.22
Rot. Bonds1

About 3-fluoro-5-(2-methylquinolin-7-yl)benzonitrile

3-fluoro-5-(2-methylquinolin-7-yl)benzonitrile (PubChem CID 23661671) has the molecular formula C17H11FN2 and a molecular weight of 262.29 g/mol. Its IUPAC name is 3-fluoro-5-(2-methylquinolin-7-yl)benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-(2-methylquinolin-7-yl)benzonitrile
PubChem CID23661671
Molecular FormulaC17H11FN2
Molecular Weight262.29 g/mol
Exact Mass262.09
IUPAC Name3-fluoro-5-(2-methylquinolin-7-yl)benzonitrile
SMILESCc1ccc2ccc(-c3cc(F)cc(C#N)c3)cc2n1
InChIInChI=1S/C17H11FN2/c1-11-2-3-13-4-5-14(9-17(13)20-11)15-6-12(10-19)7-16(18)8-15/h2-9H,1H3
InChIKeySDOLISUYGVMVBK-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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(2-methylquinolin-7-yl)benzonitrile?
The IUPAC name of 3-fluoro-5-(2-methylquinolin-7-yl)benzonitrile (CID 23661671) is 3-fluoro-5-(2-methylquinolin-7-yl)benzonitrile.
What is the SMILES notation for 3-fluoro-5-(2-methylquinolin-7-yl)benzonitrile?
The canonical SMILES for 3-fluoro-5-(2-methylquinolin-7-yl)benzonitrile is Cc1ccc2ccc(-c3cc(F)cc(C#N)c3)cc2n1.
What is the InChIKey of 3-fluoro-5-(2-methylquinolin-7-yl)benzonitrile?
The InChIKey is SDOLISUYGVMVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2/c1-11-2-3-13-4-5-14(9-17(13)20-11)15-6-12(10-19)7-16(18)8-15/h2-9H,1H3.
What are the key properties of 3-fluoro-5-(2-methylquinolin-7-yl)benzonitrile?
3-fluoro-5-(2-methylquinolin-7-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 3-fluoro-5-(2-methylquinolin-7-yl)benzonitrile is sourced from PubChem (CID 23661671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).