2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile

C16H13FN2 — CID 55387468

IUPAC2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
SMILESCC1Cc2ccccc2N1c1cccc(F)c1C#N
InChIInChI=1S/C16H13FN2/c1-11-9-12-5-2-3-7-15(12)19(11)16-8-4-6-14(17)13(16)10-18/h2-8,11H,9H2,1H3
InChIKeyNJULOJSHJACFDW-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.78
Rot. Bonds1

About 2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile

2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile (PubChem CID 55387468) has the molecular formula C16H13FN2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
PubChem CID55387468
Molecular FormulaC16H13FN2
Molecular Weight252.29 g/mol
Exact Mass252.11
IUPAC Name2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
SMILESCC1Cc2ccccc2N1c1cccc(F)c1C#N
InChIInChI=1S/C16H13FN2/c1-11-9-12-5-2-3-7-15(12)19(11)16-8-4-6-14(17)13(16)10-18/h2-8,11H,9H2,1H3
InChIKeyNJULOJSHJACFDW-UHFFFAOYSA-N
XLogP3.78
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 78939271
3-fluoro-5-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 102815035
3-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 63511241
4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 55194408
[2,3-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine
CID 107932681
3-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile
CID 62685726
2-fluoro-6-(4-methyl-1,4-diazepan-1-yl)benzonitrile
CID 47114120
2-[4-(dimethylamino)piperidin-1-yl]-6-fluorobenzonitrile
CID 78916048
4-fluoro-2-(2-methyl-2,3-dihydroindol-1-yl)aniline
CID 55067818
2-chloro-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 55194409
N-(2,6-difluorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112932172
3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)benzaldehyde
CID 63051201

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile?
The IUPAC name of 2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile (CID 55387468) is 2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile?
The canonical SMILES for 2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile is CC1Cc2ccccc2N1c1cccc(F)c1C#N.
What is the InChIKey of 2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile?
The InChIKey is NJULOJSHJACFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2/c1-11-9-12-5-2-3-7-15(12)19(11)16-8-4-6-14(17)13(16)10-18/h2-8,11H,9H2,1H3.
What are the key properties of 2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile?
2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile has a molecular weight of 252.29 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile is sourced from PubChem (CID 55387468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).