4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride

C12H12ClFN2 — CID 156733025

IUPAC4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(F)c(C2=CCNCC2)c1
InChIInChI=1S/C12H11FN2.ClH/c13-12-2-1-9(8-14)7-11(12)10-3-5-15-6-4-10;/h1-3,7,15H,4-6H2;1H
InChIKeyUAEBOKMRBNHGMS-UHFFFAOYSA-N
MW238.69 g/mol
LogP2.50
Rot. Bonds1

About 4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride

4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride (PubChem CID 156733025) has the molecular formula C12H12ClFN2 and a molecular weight of 238.69 g/mol. Its IUPAC name is 4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride.

Molecular Properties

Compound Name4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride
PubChem CID156733025
Molecular FormulaC12H12ClFN2
Molecular Weight238.69 g/mol
Exact Mass238.07
IUPAC Name4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(F)c(C2=CCNCC2)c1
InChIInChI=1S/C12H11FN2.ClH/c13-12-2-1-9(8-14)7-11(12)10-3-5-15-6-4-10;/h1-3,7,15H,4-6H2;1H
InChIKeyUAEBOKMRBNHGMS-UHFFFAOYSA-N
XLogP2.50
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.69
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile
CID 11333554
3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;hydrochloride
CID 154728760
3-(4-chlorophenyl)-4-fluorobenzonitrile
CID 82115906
4-fluoro-3-phenylbenzonitrile
CID 46314741
4-(2-fluoro-4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine
CID 176586824
3-(3,5-dimethylphenyl)-4-fluorobenzonitrile
CID 82115047
4-chloro-3-[5,7-difluoro-4-oxo-6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-quinolin-2-yl]benzonitrile
CID 174234370
4-fluoro-3-(1H-imidazol-2-yl)benzonitrile
CID 55267742
4-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride
CID 118483521
3-(3-chloro-5-fluorophenyl)-4-fluorobenzonitrile
CID 172915301
4-(1,2,3,6-tetrahydropyridin-4-yl)benzene-1,3-diol
CID 139724595
4-fluoro-3-methylbenzonitrile
CID 2779180

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride?
The IUPAC name of 4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride (CID 156733025) is 4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride.
What is the SMILES notation for 4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride?
The canonical SMILES for 4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride is Cl.N#Cc1ccc(F)c(C2=CCNCC2)c1.
What is the InChIKey of 4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride?
The InChIKey is UAEBOKMRBNHGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2.ClH/c13-12-2-1-9(8-14)7-11(12)10-3-5-15-6-4-10;/h1-3,7,15H,4-6H2;1H.
What are the key properties of 4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride?
4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride has a molecular weight of 238.69 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride is sourced from PubChem (CID 156733025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).