3-(6,7-difluoroquinolin-2-yl)propanenitrile

C12H8F2N2 — CID 82241948

IUPAC3-(6,7-difluoroquinolin-2-yl)propanenitrile
SMILESN#CCCc1ccc2cc(F)c(F)cc2n1
InChIInChI=1S/C12H8F2N2/c13-10-6-8-3-4-9(2-1-5-15)16-12(8)7-11(10)14/h3-4,6-7H,1-2H2
InChIKeyREUMTZGCHWGIGL-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.97
Rot. Bonds2

About 3-(6,7-difluoroquinolin-2-yl)propanenitrile

3-(6,7-difluoroquinolin-2-yl)propanenitrile (PubChem CID 82241948) has the molecular formula C12H8F2N2 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-(6,7-difluoroquinolin-2-yl)propanenitrile.

Molecular Properties

Compound Name3-(6,7-difluoroquinolin-2-yl)propanenitrile
PubChem CID82241948
Molecular FormulaC12H8F2N2
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name3-(6,7-difluoroquinolin-2-yl)propanenitrile
SMILESN#CCCc1ccc2cc(F)c(F)cc2n1
InChIInChI=1S/C12H8F2N2/c13-10-6-8-3-4-9(2-1-5-15)16-12(8)7-11(10)14/h3-4,6-7H,1-2H2
InChIKeyREUMTZGCHWGIGL-UHFFFAOYSA-N
XLogP2.97
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[6-[(1,3-dioxoisoindol-2-yl)methyl]quinolin-2-yl]propanenitrile
CID 21084402
3-(6-methyl-2-pyridinyl)propanenitrile
CID 14687222
6-(2-cyanoethyl)pyridine-2-carbonitrile
CID 22939408
3-(5,6,8-trichloroquinolin-2-yl)propanenitrile
CID 82249844
1-(7-chloro-6-fluoroquinolin-2-yl)propan-2-one
CID 82243491
methyl 3-(6,7-difluoroquinolin-2-yl)-2-methylpropanoate
CID 82246778
3-(5-chloro-2-fluorophenyl)propanenitrile
CID 82468446
3-(6,7-dichloroquinolin-2-yl)-2-methylpropanenitrile
CID 82246749
3-fluoro-2-methylquinoline-7-carbonitrile
CID 174882277
2-(5,6-difluoro-1H-benzimidazol-2-yl)acetonitrile
CID 64724109
3-(7-methylquinolin-3-yl)propanenitrile
CID 129451684
3-[(6,7-difluoroquinolin-2-yl)-methylamino]propanamide
CID 18994581

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-difluoroquinolin-2-yl)propanenitrile?
The IUPAC name of 3-(6,7-difluoroquinolin-2-yl)propanenitrile (CID 82241948) is 3-(6,7-difluoroquinolin-2-yl)propanenitrile.
What is the SMILES notation for 3-(6,7-difluoroquinolin-2-yl)propanenitrile?
The canonical SMILES for 3-(6,7-difluoroquinolin-2-yl)propanenitrile is N#CCCc1ccc2cc(F)c(F)cc2n1.
What is the InChIKey of 3-(6,7-difluoroquinolin-2-yl)propanenitrile?
The InChIKey is REUMTZGCHWGIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2/c13-10-6-8-3-4-9(2-1-5-15)16-12(8)7-11(10)14/h3-4,6-7H,1-2H2.
What are the key properties of 3-(6,7-difluoroquinolin-2-yl)propanenitrile?
3-(6,7-difluoroquinolin-2-yl)propanenitrile has a molecular weight of 218.21 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-difluoroquinolin-2-yl)propanenitrile is sourced from PubChem (CID 82241948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).