2-(7-fluoro-4-methylquinolin-2-yl)acetonitrile

C12H9FN2 — CID 84619654

IUPAC2-(7-fluoro-4-methylquinolin-2-yl)acetonitrile
SMILESCc1cc(CC#N)nc2cc(F)ccc12
InChIInChI=1S/C12H9FN2/c1-8-6-10(4-5-14)15-12-7-9(13)2-3-11(8)12/h2-3,6-7H,4H2,1H3
InChIKeyILKDMZMLGUFUAD-UHFFFAOYSA-N
MW200.22 g/mol
LogP2.75
Rot. Bonds1

About 2-(7-fluoro-4-methylquinolin-2-yl)acetonitrile

2-(7-fluoro-4-methylquinolin-2-yl)acetonitrile (PubChem CID 84619654) has the molecular formula C12H9FN2 and a molecular weight of 200.22 g/mol. Its IUPAC name is 2-(7-fluoro-4-methylquinolin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(7-fluoro-4-methylquinolin-2-yl)acetonitrile
PubChem CID84619654
Molecular FormulaC12H9FN2
Molecular Weight200.22 g/mol
Exact Mass200.07
IUPAC Name2-(7-fluoro-4-methylquinolin-2-yl)acetonitrile
SMILESCc1cc(CC#N)nc2cc(F)ccc12
InChIInChI=1S/C12H9FN2/c1-8-6-10(4-5-14)15-12-7-9(13)2-3-11(8)12/h2-3,6-7H,4H2,1H3
InChIKeyILKDMZMLGUFUAD-UHFFFAOYSA-N
XLogP2.75
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-4-methylquinolin-2-yl)acetonitrile?
The IUPAC name of 2-(7-fluoro-4-methylquinolin-2-yl)acetonitrile (CID 84619654) is 2-(7-fluoro-4-methylquinolin-2-yl)acetonitrile.
What is the SMILES notation for 2-(7-fluoro-4-methylquinolin-2-yl)acetonitrile?
The canonical SMILES for 2-(7-fluoro-4-methylquinolin-2-yl)acetonitrile is Cc1cc(CC#N)nc2cc(F)ccc12.
What is the InChIKey of 2-(7-fluoro-4-methylquinolin-2-yl)acetonitrile?
The InChIKey is ILKDMZMLGUFUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2/c1-8-6-10(4-5-14)15-12-7-9(13)2-3-11(8)12/h2-3,6-7H,4H2,1H3.
What are the key properties of 2-(7-fluoro-4-methylquinolin-2-yl)acetonitrile?
2-(7-fluoro-4-methylquinolin-2-yl)acetonitrile has a molecular weight of 200.22 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-4-methylquinolin-2-yl)acetonitrile is sourced from PubChem (CID 84619654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).