2-[3-(2,3-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile

C13H7Cl2FN2 — CID 133094483

IUPAC2-[3-(2,3-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile
SMILESN#CCc1ncc(F)cc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C13H7Cl2FN2/c14-11-3-1-2-9(13(11)15)10-6-8(16)7-18-12(10)4-5-17/h1-3,6-7H,4H2
InChIKeySGKUOWUHSAPJAG-UHFFFAOYSA-N
MW281.12 g/mol
LogP4.26
Rot. Bonds2

About 2-[3-(2,3-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile

2-[3-(2,3-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile (PubChem CID 133094483) has the molecular formula C13H7Cl2FN2 and a molecular weight of 281.12 g/mol. Its IUPAC name is 2-[3-(2,3-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(2,3-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile
PubChem CID133094483
Molecular FormulaC13H7Cl2FN2
Molecular Weight281.12 g/mol
Exact Mass280.00
IUPAC Name2-[3-(2,3-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile
SMILESN#CCc1ncc(F)cc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C13H7Cl2FN2/c14-11-3-1-2-9(13(11)15)10-6-8(16)7-18-12(10)4-5-17/h1-3,6-7H,4H2
InChIKeySGKUOWUHSAPJAG-UHFFFAOYSA-N
XLogP4.26
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.12
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[3-(2,3-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-fluoro-3-(2,4,5-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 133093945
3-(2,3-dichlorophenyl)-2,5-difluoropyridine
CID 133090714
2-(2,3-dichlorophenyl)-5-fluoropyridin-3-amine
CID 130088674
2-[3-amino-6-(2,3-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094450
4,5-bis(2,3-dichlorophenyl)-2-fluoropyridine
CID 133091201
2-[5-fluoro-3-(2,3,4-trichlorophenyl)-2-pyridinyl]acetic acid
CID 133090411
3-(2,3-dichlorophenyl)-5-fluoropyridine
CID 133090720
3,5-bis(2,3-dichlorophenyl)-4-fluoropyridine
CID 133090739
2-[6-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134636222
3,5-bis(2,3-dichlorophenyl)pyridine-2-carbonitrile
CID 133095162
5-(2,3-dichlorophenyl)-6-fluoropyridine-3-carbaldehyde
CID 133090767
2-[5-amino-6-(2,3-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094500

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-(2,3-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile (CID 133094483) is 2-[3-(2,3-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-(2,3-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-(2,3-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile is N#CCc1ncc(F)cc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 2-[3-(2,3-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile?
The InChIKey is SGKUOWUHSAPJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2/c14-11-3-1-2-9(13(11)15)10-6-8(16)7-18-12(10)4-5-17/h1-3,6-7H,4H2.
What are the key properties of 2-[3-(2,3-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile?
2-[3-(2,3-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile has a molecular weight of 281.12 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile is sourced from PubChem (CID 133094483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).