2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidine-4-carbonitrile

C13H9FN4 — CID 107545455

IUPAC2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCc3ccc(F)cc32)n1
InChIInChI=1S/C13H9FN4/c14-10-2-1-9-4-6-18(12(9)7-10)13-16-5-3-11(8-15)17-13/h1-3,5,7H,4,6H2
InChIKeyBKGUZPSUFRVDTR-UHFFFAOYSA-N
MW240.24 g/mol
LogP2.18
Rot. Bonds1

About 2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidine-4-carbonitrile

2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidine-4-carbonitrile (PubChem CID 107545455) has the molecular formula C13H9FN4 and a molecular weight of 240.24 g/mol. Its IUPAC name is 2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidine-4-carbonitrile
PubChem CID107545455
Molecular FormulaC13H9FN4
Molecular Weight240.24 g/mol
Exact Mass240.08
IUPAC Name2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCc3ccc(F)cc32)n1
InChIInChI=1S/C13H9FN4/c14-10-2-1-9-4-6-18(12(9)7-10)13-16-5-3-11(8-15)17-13/h1-3,5,7H,4,6H2
InChIKeyBKGUZPSUFRVDTR-UHFFFAOYSA-N
XLogP2.18
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-amine
CID 103493914
5-fluoro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
CID 103495541
3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
CID 103494010
[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 103502911
2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
CID 103493907
2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 107543268
1-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-6-fluoro-2,3-dihydroindole
CID 103501441
2-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]pyrimidine-4-carbonitrile
CID 171999793
5-[1-(2,5-difluorophenyl)-2,3-dihydroindol-6-yl]-2H-triazole-4-carbonitrile
CID 122479013
4-(6-fluoro-2,3-dihydroindol-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136750424
2-(2-oxo-1,3-oxazolidin-3-yl)pyrimidine-4-carbonitrile
CID 145426910
1-[2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-yl]propan-2-amine
CID 103503850

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidine-4-carbonitrile (CID 107545455) is 2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidine-4-carbonitrile is N#Cc1ccnc(N2CCc3ccc(F)cc32)n1.
What is the InChIKey of 2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidine-4-carbonitrile?
The InChIKey is BKGUZPSUFRVDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4/c14-10-2-1-9-4-6-18(12(9)7-10)13-16-5-3-11(8-15)17-13/h1-3,5,7H,4,6H2.
What are the key properties of 2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidine-4-carbonitrile?
2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidine-4-carbonitrile has a molecular weight of 240.24 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107545455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).