8-fluoro-2-methylquinoline-4-carbonitrile

C11H7FN2 — CID 82448796

IUPAC8-fluoro-2-methylquinoline-4-carbonitrile
SMILESCc1cc(C#N)c2cccc(F)c2n1
InChIInChI=1S/C11H7FN2/c1-7-5-8(6-13)9-3-2-4-10(12)11(9)14-7/h2-5H,1H3
InChIKeyCKNNYJBMCUTDOQ-UHFFFAOYSA-N
MW186.19 g/mol
LogP2.55
Rot. Bonds

About 8-fluoro-2-methylquinoline-4-carbonitrile

8-fluoro-2-methylquinoline-4-carbonitrile (PubChem CID 82448796) has the molecular formula C11H7FN2 and a molecular weight of 186.19 g/mol. Its IUPAC name is 8-fluoro-2-methylquinoline-4-carbonitrile.

Molecular Properties

Compound Name8-fluoro-2-methylquinoline-4-carbonitrile
PubChem CID82448796
Molecular FormulaC11H7FN2
Molecular Weight186.19 g/mol
Exact Mass186.06
IUPAC Name8-fluoro-2-methylquinoline-4-carbonitrile
SMILESCc1cc(C#N)c2cccc(F)c2n1
InChIInChI=1S/C11H7FN2/c1-7-5-8(6-13)9-3-2-4-10(12)11(9)14-7/h2-5H,1H3
InChIKeyCKNNYJBMCUTDOQ-UHFFFAOYSA-N
XLogP2.55
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methylquinoline-4-carbonitrile?
The IUPAC name of 8-fluoro-2-methylquinoline-4-carbonitrile (CID 82448796) is 8-fluoro-2-methylquinoline-4-carbonitrile.
What is the SMILES notation for 8-fluoro-2-methylquinoline-4-carbonitrile?
The canonical SMILES for 8-fluoro-2-methylquinoline-4-carbonitrile is Cc1cc(C#N)c2cccc(F)c2n1.
What is the InChIKey of 8-fluoro-2-methylquinoline-4-carbonitrile?
The InChIKey is CKNNYJBMCUTDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2/c1-7-5-8(6-13)9-3-2-4-10(12)11(9)14-7/h2-5H,1H3.
What are the key properties of 8-fluoro-2-methylquinoline-4-carbonitrile?
8-fluoro-2-methylquinoline-4-carbonitrile has a molecular weight of 186.19 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methylquinoline-4-carbonitrile is sourced from PubChem (CID 82448796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).