2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile

C14H9F3N2O — CID 122686095

IUPAC2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile
SMILESCOc1cc(C(F)(F)F)ccc1-c1cc(C#N)ccn1
InChIInChI=1S/C14H9F3N2O/c1-20-13-7-10(14(15,16)17)2-3-11(13)12-6-9(8-18)4-5-19-12/h2-7H,1H3
InChIKeyNVBDLTOSCHZZON-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.65
Rot. Bonds2

About 2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile

2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile (PubChem CID 122686095) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile
PubChem CID122686095
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Name2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile
SMILESCOc1cc(C(F)(F)F)ccc1-c1cc(C#N)ccn1
InChIInChI=1S/C14H9F3N2O/c1-20-13-7-10(14(15,16)17)2-3-11(13)12-6-9(8-18)4-5-19-12/h2-7H,1H3
InChIKeyNVBDLTOSCHZZON-UHFFFAOYSA-N
XLogP3.65
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile?
The IUPAC name of 2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile (CID 122686095) is 2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile is COc1cc(C(F)(F)F)ccc1-c1cc(C#N)ccn1.
What is the InChIKey of 2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile?
The InChIKey is NVBDLTOSCHZZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c1-20-13-7-10(14(15,16)17)2-3-11(13)12-6-9(8-18)4-5-19-12/h2-7H,1H3.
What are the key properties of 2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile?
2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile has a molecular weight of 278.23 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile is sourced from PubChem (CID 122686095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).