5-fluoro-3-indazol-2-yl-2-pyridin-3-ylbenzonitrile

C19H11FN4 — CID 139392865

IUPAC5-fluoro-3-indazol-2-yl-2-pyridin-3-ylbenzonitrile
SMILESN#Cc1cc(F)cc(-n2cc3ccccc3n2)c1-c1cccnc1
InChIInChI=1S/C19H11FN4/c20-16-8-15(10-21)19(13-5-3-7-22-11-13)18(9-16)24-12-14-4-1-2-6-17(14)23-24/h1-9,11-12H
InChIKeyMDWHZIOBXKMDFO-UHFFFAOYSA-N
MW314.32 g/mol
LogP4.10
Rot. Bonds2

About 5-fluoro-3-indazol-2-yl-2-pyridin-3-ylbenzonitrile

5-fluoro-3-indazol-2-yl-2-pyridin-3-ylbenzonitrile (PubChem CID 139392865) has the molecular formula C19H11FN4 and a molecular weight of 314.32 g/mol. Its IUPAC name is 5-fluoro-3-indazol-2-yl-2-pyridin-3-ylbenzonitrile.

Molecular Properties

Compound Name5-fluoro-3-indazol-2-yl-2-pyridin-3-ylbenzonitrile
PubChem CID139392865
Molecular FormulaC19H11FN4
Molecular Weight314.32 g/mol
Exact Mass314.10
IUPAC Name5-fluoro-3-indazol-2-yl-2-pyridin-3-ylbenzonitrile
SMILESN#Cc1cc(F)cc(-n2cc3ccccc3n2)c1-c1cccnc1
InChIInChI=1S/C19H11FN4/c20-16-8-15(10-21)19(13-5-3-7-22-11-13)18(9-16)24-12-14-4-1-2-6-17(14)23-24/h1-9,11-12H
InChIKeyMDWHZIOBXKMDFO-UHFFFAOYSA-N
XLogP4.10
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-pyridin-3-ylbenzonitrile
CID 46315558
2-bromo-4-indazol-2-ylbenzonitrile
CID 138744028
3-fluoro-5-pyridin-3-ylbenzonitrile
CID 46315568
2,5-dipyridin-3-ylindazole
CID 121379381
2-[4-(3,4-difluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]benzonitrile
CID 71180181
3-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 67026212
1-(2-fluoroethyl)-3-pyridin-3-ylpyrazole-4-carbonitrile
CID 121213440
3-(5-fluoro-2-iodo-3-pyridin-3-ylphenyl)pyridine
CID 46316519
5-fluoro-4-phenylpyridine-3-carbonitrile
CID 84668137
4-phenylpyridine-3,5-dicarbonitrile
CID 66612265
2,5-dipyridin-3-ylbenzonitrile
CID 46316425
2-fluoro-4-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile
CID 58215630

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-indazol-2-yl-2-pyridin-3-ylbenzonitrile?
The IUPAC name of 5-fluoro-3-indazol-2-yl-2-pyridin-3-ylbenzonitrile (CID 139392865) is 5-fluoro-3-indazol-2-yl-2-pyridin-3-ylbenzonitrile.
What is the SMILES notation for 5-fluoro-3-indazol-2-yl-2-pyridin-3-ylbenzonitrile?
The canonical SMILES for 5-fluoro-3-indazol-2-yl-2-pyridin-3-ylbenzonitrile is N#Cc1cc(F)cc(-n2cc3ccccc3n2)c1-c1cccnc1.
What is the InChIKey of 5-fluoro-3-indazol-2-yl-2-pyridin-3-ylbenzonitrile?
The InChIKey is MDWHZIOBXKMDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN4/c20-16-8-15(10-21)19(13-5-3-7-22-11-13)18(9-16)24-12-14-4-1-2-6-17(14)23-24/h1-9,11-12H.
What are the key properties of 5-fluoro-3-indazol-2-yl-2-pyridin-3-ylbenzonitrile?
5-fluoro-3-indazol-2-yl-2-pyridin-3-ylbenzonitrile has a molecular weight of 314.32 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-indazol-2-yl-2-pyridin-3-ylbenzonitrile is sourced from PubChem (CID 139392865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).