6-[2-(2,5-difluorophenyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile

C17H13F2N3O — CID 166330239

IUPAC6-[2-(2,5-difluorophenyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(=O)N2CCCC2c2cc(F)ccc2F)nc1
InChIInChI=1S/C17H13F2N3O/c18-12-4-5-14(19)13(8-12)16-2-1-7-22(16)17(23)15-6-3-11(9-20)10-21-15/h3-6,8,10,16H,1-2,7H2
InChIKeyFKTGBQHMGMJGJC-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.21
Rot. Bonds2

About 6-[2-(2,5-difluorophenyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile

6-[2-(2,5-difluorophenyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile (PubChem CID 166330239) has the molecular formula C17H13F2N3O and a molecular weight of 313.31 g/mol. Its IUPAC name is 6-[2-(2,5-difluorophenyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(2,5-difluorophenyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
PubChem CID166330239
Molecular FormulaC17H13F2N3O
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name6-[2-(2,5-difluorophenyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(=O)N2CCCC2c2cc(F)ccc2F)nc1
InChIInChI=1S/C17H13F2N3O/c18-12-4-5-14(19)13(8-12)16-2-1-7-22(16)17(23)15-6-3-11(9-20)10-21-15/h3-6,8,10,16H,1-2,7H2
InChIKeyFKTGBQHMGMJGJC-UHFFFAOYSA-N
XLogP3.21
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-tert-butyl-1,3-oxazol-2-yl)-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]methanone
CID 166274673
[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanone
CID 166282587
3-[1-(5-cyanopyridine-2-carbonyl)piperidin-2-yl]propanoic acid
CID 63722666
[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone
CID 138023713
6-(4-aminopiperidine-1-carbonyl)pyridine-3-carbonitrile
CID 63723580
6-(4,4-dimethylazepane-1-carbonyl)pyridine-3-carbonitrile
CID 65281399
N-tert-butyl-5-[2-(2,5-difluorophenyl)pyrrolidine-1-carbonyl]-2-fluorobenzenesulfonamide
CID 166330291
6-[2-(bromomethyl)-3-methylpyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 102788235
6-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 63719374
(5-fluoro-2-pyridinyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 104639225
4-chloro-3-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]benzonitrile
CID 166193513
6-[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile
CID 129372569

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,5-difluorophenyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(2,5-difluorophenyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile (CID 166330239) is 6-[2-(2,5-difluorophenyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(2,5-difluorophenyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(2,5-difluorophenyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile is N#Cc1ccc(C(=O)N2CCCC2c2cc(F)ccc2F)nc1.
What is the InChIKey of 6-[2-(2,5-difluorophenyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile?
The InChIKey is FKTGBQHMGMJGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O/c18-12-4-5-14(19)13(8-12)16-2-1-7-22(16)17(23)15-6-3-11(9-20)10-21-15/h3-6,8,10,16H,1-2,7H2.
What are the key properties of 6-[2-(2,5-difluorophenyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile?
6-[2-(2,5-difluorophenyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile has a molecular weight of 313.31 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,5-difluorophenyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile is sourced from PubChem (CID 166330239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).