5-(2-chloro-6-fluorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile

C14H11ClFN3 — CID 94284848

IUPAC5-(2-chloro-6-fluorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile
SMILESCN(C)c1ncc(-c2c(F)cccc2Cl)cc1C#N
InChIInChI=1S/C14H11ClFN3/c1-19(2)14-9(7-17)6-10(8-18-14)13-11(15)4-3-5-12(13)16/h3-6,8H,1-2H3
InChIKeyBMYLISXZILXKRH-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.48
Rot. Bonds2

About 5-(2-chloro-6-fluorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile

5-(2-chloro-6-fluorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile (PubChem CID 94284848) has the molecular formula C14H11ClFN3 and a molecular weight of 275.71 g/mol. Its IUPAC name is 5-(2-chloro-6-fluorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(2-chloro-6-fluorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile
PubChem CID94284848
Molecular FormulaC14H11ClFN3
Molecular Weight275.71 g/mol
Exact Mass275.06
IUPAC Name5-(2-chloro-6-fluorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile
SMILESCN(C)c1ncc(-c2c(F)cccc2Cl)cc1C#N
InChIInChI=1S/C14H11ClFN3/c1-19(2)14-9(7-17)6-10(8-18-14)13-11(15)4-3-5-12(13)16/h3-6,8H,1-2H3
InChIKeyBMYLISXZILXKRH-UHFFFAOYSA-N
XLogP3.48
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(2-chloro-6-fluorophenyl)pyridine-3-carbonitrile
CID 82122908
2-(3,5-dichlorophenyl)-3-fluorobenzonitrile
CID 134623799
5-(5-amino-2-methylphenyl)-2-(dimethylamino)pyridine-3-carbonitrile;5-bromo-2-(dimethylamino)pyridine-3-carbonitrile
CID 158413042
6-chloro-2-(dimethylamino)-8-fluoroquinoline-3-carbonitrile
CID 175783910
2-N-[(2-chloro-6-fluorophenyl)methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 134699655
5-(2-chloro-6-fluorophenyl)-2-nitropyridine
CID 165487980
2,3-dichloro-5-(2,6-dichlorophenyl)pyridine
CID 118826487
2-(2-chloro-6-fluorophenyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile
CID 629241
5-(4-chlorophenyl)-2-methylpyridine-3-carbonitrile
CID 13079832
5-(2-chloro-6-fluorophenyl)-1-methylpyrazole
CID 175129840
5-(2,6-dimethylphenyl)-2-fluorobenzene-1,3-dicarbonitrile;ethane
CID 144713865
8-chloro-4-(dimethylamino)quinoline-3-carbonitrile
CID 82242893

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-fluorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-(2-chloro-6-fluorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile (CID 94284848) is 5-(2-chloro-6-fluorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(2-chloro-6-fluorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-(2-chloro-6-fluorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile is CN(C)c1ncc(-c2c(F)cccc2Cl)cc1C#N.
What is the InChIKey of 5-(2-chloro-6-fluorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile?
The InChIKey is BMYLISXZILXKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3/c1-19(2)14-9(7-17)6-10(8-18-14)13-11(15)4-3-5-12(13)16/h3-6,8H,1-2H3.
What are the key properties of 5-(2-chloro-6-fluorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile?
5-(2-chloro-6-fluorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile has a molecular weight of 275.71 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-fluorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 94284848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).