2-[3-[3,4-dichloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]acetonitrile

C14H7Cl2F3N2O — CID 67658684

IUPAC2-[3-[3,4-dichloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]acetonitrile
SMILESN#CCOc1cccc(-c2ncc(C(F)(F)F)c(Cl)c2Cl)c1
InChIInChI=1S/C14H7Cl2F3N2O/c15-11-10(14(17,18)19)7-21-13(12(11)16)8-2-1-3-9(6-8)22-5-4-20/h1-3,6-7H,5H2
InChIKeyVWWCLHQNQUFHPO-UHFFFAOYSA-N
MW347.12 g/mol
LogP4.98
Rot. Bonds3

About 2-[3-[3,4-dichloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]acetonitrile

2-[3-[3,4-dichloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]acetonitrile (PubChem CID 67658684) has the molecular formula C14H7Cl2F3N2O and a molecular weight of 347.12 g/mol. Its IUPAC name is 2-[3-[3,4-dichloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[3-[3,4-dichloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]acetonitrile
PubChem CID67658684
Molecular FormulaC14H7Cl2F3N2O
Molecular Weight347.12 g/mol
Exact Mass345.99
IUPAC Name2-[3-[3,4-dichloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]acetonitrile
SMILESN#CCOc1cccc(-c2ncc(C(F)(F)F)c(Cl)c2Cl)c1
InChIInChI=1S/C14H7Cl2F3N2O/c15-11-10(14(17,18)19)7-21-13(12(11)16)8-2-1-3-9(6-8)22-5-4-20/h1-3,6-7H,5H2
InChIKeyVWWCLHQNQUFHPO-UHFFFAOYSA-N
XLogP4.98
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.12
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,4-dichloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]acetonitrile?
The IUPAC name of 2-[3-[3,4-dichloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]acetonitrile (CID 67658684) is 2-[3-[3,4-dichloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[3-[3,4-dichloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[3-[3,4-dichloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]acetonitrile is N#CCOc1cccc(-c2ncc(C(F)(F)F)c(Cl)c2Cl)c1.
What is the InChIKey of 2-[3-[3,4-dichloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]acetonitrile?
The InChIKey is VWWCLHQNQUFHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3N2O/c15-11-10(14(17,18)19)7-21-13(12(11)16)8-2-1-3-9(6-8)22-5-4-20/h1-3,6-7H,5H2.
What are the key properties of 2-[3-[3,4-dichloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]acetonitrile?
2-[3-[3,4-dichloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]acetonitrile has a molecular weight of 347.12 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,4-dichloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]acetonitrile is sourced from PubChem (CID 67658684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).