2-[6-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetonitrile

C13H6Cl3FN2 — CID 134636222

IUPAC2-[6-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc(F)c(-c2ccc(Cl)c(Cl)c2Cl)c1
InChIInChI=1S/C13H6Cl3FN2/c14-10-2-1-8(11(15)12(10)16)9-5-7(3-4-18)6-19-13(9)17/h1-2,5-6H,3H2
InChIKeyQJMQWNSLVSGSSZ-UHFFFAOYSA-N
MW315.56 g/mol
LogP4.91
Rot. Bonds2

About 2-[6-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetonitrile

2-[6-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetonitrile (PubChem CID 134636222) has the molecular formula C13H6Cl3FN2 and a molecular weight of 315.56 g/mol. Its IUPAC name is 2-[6-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetonitrile
PubChem CID134636222
Molecular FormulaC13H6Cl3FN2
Molecular Weight315.56 g/mol
Exact Mass313.96
IUPAC Name2-[6-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc(F)c(-c2ccc(Cl)c(Cl)c2Cl)c1
InChIInChI=1S/C13H6Cl3FN2/c14-10-2-1-8(11(15)12(10)16)9-5-7(3-4-18)6-19-13(9)17/h1-2,5-6H,3H2
InChIKeyQJMQWNSLVSGSSZ-UHFFFAOYSA-N
XLogP4.91
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.56
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[5-chloro-2-(2,3,4-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134636100
2-[5-(2,4-dichlorophenyl)-2-fluoro-3-pyridinyl]acetonitrile
CID 133094509
3-(2,3-dichlorophenyl)-2,5-difluoropyridine
CID 133090714
2-[4-fluoro-3-(2,3,4,5,6-pentachlorophenyl)phenyl]acetonitrile
CID 134631147
2-[3-(2,3-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 133094483
2-[6-amino-5-(2,4,5-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 119005753
2-[5-(2,4-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094455
5-(2,3-dichlorophenyl)-6-fluoropyridine-3-carbaldehyde
CID 133090767
2-[5-chloro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 134625706
2-[5-amino-6-(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094378
4-fluoro-2,5-bis(2,3,4-trichlorophenyl)pyridine
CID 133090114
2-[2-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118824848

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetonitrile (CID 134636222) is 2-[6-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetonitrile is N#CCc1cnc(F)c(-c2ccc(Cl)c(Cl)c2Cl)c1.
What is the InChIKey of 2-[6-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetonitrile?
The InChIKey is QJMQWNSLVSGSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3FN2/c14-10-2-1-8(11(15)12(10)16)9-5-7(3-4-18)6-19-13(9)17/h1-2,5-6H,3H2.
What are the key properties of 2-[6-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetonitrile?
2-[6-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetonitrile has a molecular weight of 315.56 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 134636222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).