5,8-difluoroquinoline-2-carbonitrile

C10H4F2N2 — CID 82241045

IUPAC5,8-difluoroquinoline-2-carbonitrile
SMILESN#Cc1ccc2c(F)ccc(F)c2n1
InChIInChI=1S/C10H4F2N2/c11-8-3-4-9(12)10-7(8)2-1-6(5-13)14-10/h1-4H
InChIKeyGNTCXJJJHQTLOE-UHFFFAOYSA-N
MW190.15 g/mol
LogP2.38
Rot. Bonds

About 5,8-difluoroquinoline-2-carbonitrile

5,8-difluoroquinoline-2-carbonitrile (PubChem CID 82241045) has the molecular formula C10H4F2N2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 5,8-difluoroquinoline-2-carbonitrile.

Molecular Properties

Compound Name5,8-difluoroquinoline-2-carbonitrile
PubChem CID82241045
Molecular FormulaC10H4F2N2
Molecular Weight190.15 g/mol
Exact Mass190.03
IUPAC Name5,8-difluoroquinoline-2-carbonitrile
SMILESN#Cc1ccc2c(F)ccc(F)c2n1
InChIInChI=1S/C10H4F2N2/c11-8-3-4-9(12)10-7(8)2-1-6(5-13)14-10/h1-4H
InChIKeyGNTCXJJJHQTLOE-UHFFFAOYSA-N
XLogP2.38
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,7,8-trifluoroquinoline-2-carbonitrile
CID 82241514
5,6,7-trifluoroquinoline-2-carbonitrile
CID 102941305
6-(aminomethyl)-5-fluoropyridine-2-carbonitrile
CID 170449568
8-bromo-5-methylquinoline-2-carbonitrile
CID 102941349
2,4-diaminopyrido[2,3-d]pyrimidine-7-carbonitrile
CID 134986949
6,8-dibromoquinoline-2-carbonitrile
CID 102941313
6-ethynyl-3-fluoropyridine-2-carbonitrile
CID 55219584
6-fluoropyridazine-3-carbonitrile
CID 57415865
9-isocyano-1,10-phenanthroline-2-carbonitrile
CID 58979970
5-aminoquinoline-2-carbonitrile
CID 133061307
8-fluoro-2-methylquinoline-4-carbonitrile
CID 82448796
4-fluoro-1H-benzimidazole-2-carbonitrile
CID 83433358

Frequently Asked Questions

What is the IUPAC name of 5,8-difluoroquinoline-2-carbonitrile?
The IUPAC name of 5,8-difluoroquinoline-2-carbonitrile (CID 82241045) is 5,8-difluoroquinoline-2-carbonitrile.
What is the SMILES notation for 5,8-difluoroquinoline-2-carbonitrile?
The canonical SMILES for 5,8-difluoroquinoline-2-carbonitrile is N#Cc1ccc2c(F)ccc(F)c2n1.
What is the InChIKey of 5,8-difluoroquinoline-2-carbonitrile?
The InChIKey is GNTCXJJJHQTLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F2N2/c11-8-3-4-9(12)10-7(8)2-1-6(5-13)14-10/h1-4H.
What are the key properties of 5,8-difluoroquinoline-2-carbonitrile?
5,8-difluoroquinoline-2-carbonitrile has a molecular weight of 190.15 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoroquinoline-2-carbonitrile is sourced from PubChem (CID 82241045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).