2-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)acetonitrile

C12H9FN2O — CID 82241864

IUPAC2-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)acetonitrile
SMILESCc1[nH]c2ccc(F)cc2c(=O)c1CC#N
InChIInChI=1S/C12H9FN2O/c1-7-9(4-5-14)12(16)10-6-8(13)2-3-11(10)15-7/h2-3,6H,4H2,1H3,(H,15,16)
InChIKeyORJCGADIRWKPPN-UHFFFAOYSA-N
MW216.21 g/mol
LogP2.04
Rot. Bonds1

About 2-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)acetonitrile

2-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)acetonitrile (PubChem CID 82241864) has the molecular formula C12H9FN2O and a molecular weight of 216.21 g/mol. Its IUPAC name is 2-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)acetonitrile
PubChem CID82241864
Molecular FormulaC12H9FN2O
Molecular Weight216.21 g/mol
Exact Mass216.07
IUPAC Name2-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)acetonitrile
SMILESCc1[nH]c2ccc(F)cc2c(=O)c1CC#N
InChIInChI=1S/C12H9FN2O/c1-7-9(4-5-14)12(16)10-6-8(13)2-3-11(10)15-7/h2-3,6H,4H2,1H3,(H,15,16)
InChIKeyORJCGADIRWKPPN-UHFFFAOYSA-N
XLogP2.04
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)acetonitrile?
The IUPAC name of 2-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)acetonitrile (CID 82241864) is 2-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)acetonitrile.
What is the SMILES notation for 2-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)acetonitrile?
The canonical SMILES for 2-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)acetonitrile is Cc1[nH]c2ccc(F)cc2c(=O)c1CC#N.
What is the InChIKey of 2-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)acetonitrile?
The InChIKey is ORJCGADIRWKPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O/c1-7-9(4-5-14)12(16)10-6-8(13)2-3-11(10)15-7/h2-3,6H,4H2,1H3,(H,15,16).
What are the key properties of 2-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)acetonitrile?
2-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)acetonitrile has a molecular weight of 216.21 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)acetonitrile is sourced from PubChem (CID 82241864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).