8-fluoro-3,4-dihydroisoquinoline-6-carbonitrile

C10H7FN2 — CID 162737981

IUPAC8-fluoro-3,4-dihydroisoquinoline-6-carbonitrile
SMILESN#Cc1cc(F)c2c(c1)CCN=C2
InChIInChI=1S/C10H7FN2/c11-10-4-7(5-12)3-8-1-2-13-6-9(8)10/h3-4,6H,1-2H2
InChIKeyNZACPOPRHNOPEY-UHFFFAOYSA-N
MW174.18 g/mol
LogP1.67
Rot. Bonds

About 8-fluoro-3,4-dihydroisoquinoline-6-carbonitrile

8-fluoro-3,4-dihydroisoquinoline-6-carbonitrile (PubChem CID 162737981) has the molecular formula C10H7FN2 and a molecular weight of 174.18 g/mol. Its IUPAC name is 8-fluoro-3,4-dihydroisoquinoline-6-carbonitrile.

Molecular Properties

Compound Name8-fluoro-3,4-dihydroisoquinoline-6-carbonitrile
PubChem CID162737981
Molecular FormulaC10H7FN2
Molecular Weight174.18 g/mol
Exact Mass174.06
IUPAC Name8-fluoro-3,4-dihydroisoquinoline-6-carbonitrile
SMILESN#Cc1cc(F)c2c(c1)CCN=C2
InChIInChI=1S/C10H7FN2/c11-10-4-7(5-12)3-8-1-2-13-6-9(8)10/h3-4,6H,1-2H2
InChIKeyNZACPOPRHNOPEY-UHFFFAOYSA-N
XLogP1.67
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3,5-difluorobenzonitrile
CID 19612372
4-(1,3-dihydroisoindol-2-yl)-3,5-difluorobenzonitrile
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7-fluoro-1-propan-2-yl-2,3-dihydro-1H-indene-5-carbonitrile
CID 171497531
1-ethyl-7-fluoro-2,3-dihydro-1H-indene-5-carbonitrile
CID 171497514
4-cyclopropyl-3,5-difluorobenzonitrile
CID 118879698
3,5-difluoro-4-(4-methyl-1,4-diazepan-1-yl)benzonitrile
CID 78988221
3-fluoro-4,5-diiodobenzonitrile
CID 130840586
4-(cyanomethyl)-3,5-difluorobenzonitrile
CID 118821709
3,5-difluoro-4-phenylmethoxybenzonitrile
CID 57445722
4-tert-butylsulfanyl-3,5-difluorobenzonitrile
CID 81283930
3,5-difluoro-4-(5-oxo-1,4-diazepan-1-yl)benzonitrile
CID 78988335
4-fluoro-1H-indazole-6-carbonitrile
CID 53399325

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3,4-dihydroisoquinoline-6-carbonitrile?
The IUPAC name of 8-fluoro-3,4-dihydroisoquinoline-6-carbonitrile (CID 162737981) is 8-fluoro-3,4-dihydroisoquinoline-6-carbonitrile.
What is the SMILES notation for 8-fluoro-3,4-dihydroisoquinoline-6-carbonitrile?
The canonical SMILES for 8-fluoro-3,4-dihydroisoquinoline-6-carbonitrile is N#Cc1cc(F)c2c(c1)CCN=C2.
What is the InChIKey of 8-fluoro-3,4-dihydroisoquinoline-6-carbonitrile?
The InChIKey is NZACPOPRHNOPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2/c11-10-4-7(5-12)3-8-1-2-13-6-9(8)10/h3-4,6H,1-2H2.
What are the key properties of 8-fluoro-3,4-dihydroisoquinoline-6-carbonitrile?
8-fluoro-3,4-dihydroisoquinoline-6-carbonitrile has a molecular weight of 174.18 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3,4-dihydroisoquinoline-6-carbonitrile is sourced from PubChem (CID 162737981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).