6-[1-[4-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile

C18H17ClFN3O — CID 68795387

IUPAC6-[1-[4-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
SMILESCC(Oc1ccc(C#N)cn1)C1CNCC1c1ccc(Cl)c(F)c1
InChIInChI=1S/C18H17ClFN3O/c1-11(24-18-5-2-12(7-21)8-23-18)14-9-22-10-15(14)13-3-4-16(19)17(20)6-13/h2-6,8,11,14-15,22H,9-10H2,1H3
InChIKeyGCSCMFLQMOCCOY-UHFFFAOYSA-N
MW345.81 g/mol
LogP3.52
Rot. Bonds4

About 6-[1-[4-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile

6-[1-[4-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile (PubChem CID 68795387) has the molecular formula C18H17ClFN3O and a molecular weight of 345.81 g/mol. Its IUPAC name is 6-[1-[4-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-[4-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
PubChem CID68795387
Molecular FormulaC18H17ClFN3O
Molecular Weight345.81 g/mol
Exact Mass345.10
IUPAC Name6-[1-[4-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
SMILESCC(Oc1ccc(C#N)cn1)C1CNCC1c1ccc(Cl)c(F)c1
InChIInChI=1S/C18H17ClFN3O/c1-11(24-18-5-2-12(7-21)8-23-18)14-9-22-10-15(14)13-3-4-16(19)17(20)6-13/h2-6,8,11,14-15,22H,9-10H2,1H3
InChIKeyGCSCMFLQMOCCOY-UHFFFAOYSA-N
XLogP3.52
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(1S)-1-[(3R,4S)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
CID 59513651
6-[(1S)-1-[(3R)-4-(3,4-difluorophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
CID 58171840
6-[1-[4-(4-cyanophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
CID 66999804
6-[1-[1-(azetidine-3-carbonyl)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
CID 66999928
3-[1-[(5-cyano-2-pyridinyl)oxy]ethyl]-4-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl chloride
CID 86628181
6-[(1S)-1-[(4S)-4-(3-chloro-4-fluorophenyl)-1-(2-methylpyrimidine-5-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
CID 143759010
5-chloro-2-[(1S)-1-[(3S,4S)-3-(4-chlorophenyl)piperidin-4-yl]ethoxy]pyridine
CID 59438157
6-[(1S)-1-[(4S)-1-(1-acetylpiperidine-4-carbonyl)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
CID 143907652
6-(1-cyclopropylethoxy)pyridine-3-carbonitrile
CID 126955007
6-[(1S)-1-[(4S)-1-(4-cyanopiperidine-1-carbonyl)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
CID 25211569
4-[(3S,4S)-3-[(1R)-1-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]benzonitrile
CID 67131449
6-[1-[4-(3,4-dichlorophenyl)-1-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
CID 67327849

Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-[4-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile (CID 68795387) is 6-[1-[4-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-[4-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-[4-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile is CC(Oc1ccc(C#N)cn1)C1CNCC1c1ccc(Cl)c(F)c1.
What is the InChIKey of 6-[1-[4-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile?
The InChIKey is GCSCMFLQMOCCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O/c1-11(24-18-5-2-12(7-21)8-23-18)14-9-22-10-15(14)13-3-4-16(19)17(20)6-13/h2-6,8,11,14-15,22H,9-10H2,1H3.
What are the key properties of 6-[1-[4-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile?
6-[1-[4-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile has a molecular weight of 345.81 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 68795387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).