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

C13H6Cl3FN2 — CID 134637614

IUPAC2-[5-fluoro-6-(2,3,5-trichlorophenyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1ccc(F)c(-c2cc(Cl)cc(Cl)c2Cl)n1
InChIInChI=1S/C13H6Cl3FN2/c14-7-5-9(12(16)10(15)6-7)13-11(17)2-1-8(19-13)3-4-18/h1-2,5-6H,3H2
InChIKeyQQRCYMRFKJQJIE-UHFFFAOYSA-N
MW315.56 g/mol
LogP4.91
Rot. Bonds2

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

2-[5-fluoro-6-(2,3,5-trichlorophenyl)-2-pyridinyl]acetonitrile (PubChem CID 134637614) has the molecular formula C13H6Cl3FN2 and a molecular weight of 315.56 g/mol. Its IUPAC name is 2-[5-fluoro-6-(2,3,5-trichlorophenyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-fluoro-6-(2,3,5-trichlorophenyl)-2-pyridinyl]acetonitrile
PubChem CID134637614
Molecular FormulaC13H6Cl3FN2
Molecular Weight315.56 g/mol
Exact Mass313.96
IUPAC Name2-[5-fluoro-6-(2,3,5-trichlorophenyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1ccc(F)c(-c2cc(Cl)cc(Cl)c2Cl)n1
InChIInChI=1S/C13H6Cl3FN2/c14-7-5-9(12(16)10(15)6-7)13-11(17)2-1-8(19-13)3-4-18/h1-2,5-6H,3H2
InChIKeyQQRCYMRFKJQJIE-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': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[6-(2,5-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 133094529
2-[2,3-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134637207
2-[2,6-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134637241
2-[5-chloro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 134625706
2-[3,5-dichloro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134637455
2-[5-amino-6-(2,3-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094500
2-[5-fluoro-6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 133094175
2-[5-chloro-6-(2,6-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094318
2-(5-fluoro-6-pyridin-3-yl-2-pyridinyl)acetonitrile
CID 131870359
2-[4-fluoro-3-(2,3,4,5,6-pentachlorophenyl)phenyl]acetonitrile
CID 134631147
2-[6-(2,5-dichlorophenyl)-3-fluoro-2-pyridinyl]acetonitrile
CID 133094570
2-[5-amino-6-(3,4-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094408

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-6-(2,3,5-trichlorophenyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-fluoro-6-(2,3,5-trichlorophenyl)-2-pyridinyl]acetonitrile (CID 134637614) is 2-[5-fluoro-6-(2,3,5-trichlorophenyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-fluoro-6-(2,3,5-trichlorophenyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-fluoro-6-(2,3,5-trichlorophenyl)-2-pyridinyl]acetonitrile is N#CCc1ccc(F)c(-c2cc(Cl)cc(Cl)c2Cl)n1.
What is the InChIKey of 2-[5-fluoro-6-(2,3,5-trichlorophenyl)-2-pyridinyl]acetonitrile?
The InChIKey is QQRCYMRFKJQJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3FN2/c14-7-5-9(12(16)10(15)6-7)13-11(17)2-1-8(19-13)3-4-18/h1-2,5-6H,3H2.
What are the key properties of 2-[5-fluoro-6-(2,3,5-trichlorophenyl)-2-pyridinyl]acetonitrile?
2-[5-fluoro-6-(2,3,5-trichlorophenyl)-2-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-[5-fluoro-6-(2,3,5-trichlorophenyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 134637614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).