3-fluoro-5-(isoquinolin-8-ylamino)benzonitrile

C16H10FN3 — CID 102816923

IUPAC3-fluoro-5-(isoquinolin-8-ylamino)benzonitrile
SMILESN#Cc1cc(F)cc(Nc2cccc3ccncc23)c1
InChIInChI=1S/C16H10FN3/c17-13-6-11(9-18)7-14(8-13)20-16-3-1-2-12-4-5-19-10-15(12)16/h1-8,10,20H
InChIKeyOGUGATSEXHIEJM-UHFFFAOYSA-N
MW263.28 g/mol
LogP3.99
Rot. Bonds2

About 3-fluoro-5-(isoquinolin-8-ylamino)benzonitrile

3-fluoro-5-(isoquinolin-8-ylamino)benzonitrile (PubChem CID 102816923) has the molecular formula C16H10FN3 and a molecular weight of 263.28 g/mol. Its IUPAC name is 3-fluoro-5-(isoquinolin-8-ylamino)benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-(isoquinolin-8-ylamino)benzonitrile
PubChem CID102816923
Molecular FormulaC16H10FN3
Molecular Weight263.28 g/mol
Exact Mass263.09
IUPAC Name3-fluoro-5-(isoquinolin-8-ylamino)benzonitrile
SMILESN#Cc1cc(F)cc(Nc2cccc3ccncc23)c1
InChIInChI=1S/C16H10FN3/c17-13-6-11(9-18)7-14(8-13)20-16-3-1-2-12-4-5-19-10-15(12)16/h1-8,10,20H
InChIKeyOGUGATSEXHIEJM-UHFFFAOYSA-N
XLogP3.99
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-5-(2-methylsulfanylanilino)benzonitrile
CID 107644883
3-[2-(difluoromethylsulfanyl)anilino]-5-fluorobenzonitrile
CID 102814926
3-fluoro-4-(isoquinolin-5-ylamino)benzonitrile
CID 43808556
N-(5-bromo-3-pyridinyl)isoquinolin-8-amine
CID 104531874
3-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile
CID 113269395
3-(2,6-diethylanilino)-5-fluorobenzonitrile
CID 102814879
2-(isoquinolin-5-ylamino)pyridine-4-carbonitrile
CID 43808553
3-fluoro-5-(2,3,5-trifluoroanilino)benzonitrile
CID 102816232
4-amino-3-(isoquinolin-5-ylamino)benzonitrile
CID 104711588
3-[(3-bromo-4-pyridinyl)amino]benzonitrile
CID 104777953
4-N-isoquinolin-8-yl-2-methylpyrimidine-4,6-diamine
CID 80851740
3-(4-chloroanilino)-5-fluorobenzonitrile
CID 102815066

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(isoquinolin-8-ylamino)benzonitrile?
The IUPAC name of 3-fluoro-5-(isoquinolin-8-ylamino)benzonitrile (CID 102816923) is 3-fluoro-5-(isoquinolin-8-ylamino)benzonitrile.
What is the SMILES notation for 3-fluoro-5-(isoquinolin-8-ylamino)benzonitrile?
The canonical SMILES for 3-fluoro-5-(isoquinolin-8-ylamino)benzonitrile is N#Cc1cc(F)cc(Nc2cccc3ccncc23)c1.
What is the InChIKey of 3-fluoro-5-(isoquinolin-8-ylamino)benzonitrile?
The InChIKey is OGUGATSEXHIEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3/c17-13-6-11(9-18)7-14(8-13)20-16-3-1-2-12-4-5-19-10-15(12)16/h1-8,10,20H.
What are the key properties of 3-fluoro-5-(isoquinolin-8-ylamino)benzonitrile?
3-fluoro-5-(isoquinolin-8-ylamino)benzonitrile has a molecular weight of 263.28 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(isoquinolin-8-ylamino)benzonitrile is sourced from PubChem (CID 102816923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).