6,7-difluoro-2-methylquinoline-3-carbonitrile

C11H6F2N2 — CID 154554859

IUPAC6,7-difluoro-2-methylquinoline-3-carbonitrile
SMILESCc1nc2cc(F)c(F)cc2cc1C#N
InChIInChI=1S/C11H6F2N2/c1-6-8(5-14)2-7-3-9(12)10(13)4-11(7)15-6/h2-4H,1H3
InChIKeyXAVIZRDFFANFJH-UHFFFAOYSA-N
MW204.18 g/mol
LogP2.69
Rot. Bonds

About 6,7-difluoro-2-methylquinoline-3-carbonitrile

6,7-difluoro-2-methylquinoline-3-carbonitrile (PubChem CID 154554859) has the molecular formula C11H6F2N2 and a molecular weight of 204.18 g/mol. Its IUPAC name is 6,7-difluoro-2-methylquinoline-3-carbonitrile.

Molecular Properties

Compound Name6,7-difluoro-2-methylquinoline-3-carbonitrile
PubChem CID154554859
Molecular FormulaC11H6F2N2
Molecular Weight204.18 g/mol
Exact Mass204.05
IUPAC Name6,7-difluoro-2-methylquinoline-3-carbonitrile
SMILESCc1nc2cc(F)c(F)cc2cc1C#N
InChIInChI=1S/C11H6F2N2/c1-6-8(5-14)2-7-3-9(12)10(13)4-11(7)15-6/h2-4H,1H3
InChIKeyXAVIZRDFFANFJH-UHFFFAOYSA-N
XLogP2.69
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-difluoro-2-propan-2-ylquinoline-3-carbonitrile
CID 142184146
3-fluoro-2-methylquinoline-7-carbonitrile
CID 174882277
2-bromo-6-methylpyridine-3,5-dicarbonitrile
CID 12535770
3-fluoronaphthalene-2-carbonitrile
CID 53485645
6,7-difluoro-2-[[(2S)-piperidin-2-yl]methylamino]quinoline-3-carbonitrile
CID 67090654
4-fluoro-5-methylbenzene-1,2-dicarbonitrile
CID 146962290
6-(difluoromethyl)-5-methoxy-2-methylpyridine-3-carbonitrile
CID 130077908
6-(difluoromethyl)-5-(hydroxymethyl)-2-methylpyridine-3-carbonitrile
CID 130078344
naphthalene-2,3,6,7-tetracarbonitrile
CID 66972136
2,3,5-trifluoro-4-methylbenzonitrile
CID 24820344
6-(2-aminoethoxy)-5-chloro-2-methylpyridine-3-carbonitrile
CID 130594861
2-methyl-6-(3-methylbutan-2-yl)pyridine-3-carbonitrile
CID 139473327

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-2-methylquinoline-3-carbonitrile?
The IUPAC name of 6,7-difluoro-2-methylquinoline-3-carbonitrile (CID 154554859) is 6,7-difluoro-2-methylquinoline-3-carbonitrile.
What is the SMILES notation for 6,7-difluoro-2-methylquinoline-3-carbonitrile?
The canonical SMILES for 6,7-difluoro-2-methylquinoline-3-carbonitrile is Cc1nc2cc(F)c(F)cc2cc1C#N.
What is the InChIKey of 6,7-difluoro-2-methylquinoline-3-carbonitrile?
The InChIKey is XAVIZRDFFANFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N2/c1-6-8(5-14)2-7-3-9(12)10(13)4-11(7)15-6/h2-4H,1H3.
What are the key properties of 6,7-difluoro-2-methylquinoline-3-carbonitrile?
6,7-difluoro-2-methylquinoline-3-carbonitrile has a molecular weight of 204.18 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-2-methylquinoline-3-carbonitrile is sourced from PubChem (CID 154554859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).