4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carbonitrile

C14H9F3N2O3 — CID 21249827

IUPAC4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carbonitrile
SMILESCOc1cc(C#N)nc(Oc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C14H9F3N2O3/c1-20-12-5-9(8-18)19-13(7-12)21-10-3-2-4-11(6-10)22-14(15,16)17/h2-7H,1H3
InChIKeyUDJFSQWCKWHMBR-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.65
Rot. Bonds4

About 4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carbonitrile

4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carbonitrile (PubChem CID 21249827) has the molecular formula C14H9F3N2O3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carbonitrile
PubChem CID21249827
Molecular FormulaC14H9F3N2O3
Molecular Weight310.23 g/mol
Exact Mass310.06
IUPAC Name4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carbonitrile
SMILESCOc1cc(C#N)nc(Oc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C14H9F3N2O3/c1-20-12-5-9(8-18)19-13(7-12)21-10-3-2-4-11(6-10)22-14(15,16)17/h2-7H,1H3
InChIKeyUDJFSQWCKWHMBR-UHFFFAOYSA-N
XLogP3.65
TPSA64.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-phenyl-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide
CID 15906599
1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine-4-carbonitrile
CID 130395946
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
4-(3-methoxyphenoxy)benzonitrile
CID 15643687
4-nitro-6-[3-(trifluoromethoxy)phenyl]pyridine-2-carbonitrile
CID 71415579
5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096355
6-methoxy-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096340
6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
CID 130095863
(3,5-dimethoxyphenyl) 3-(trifluoromethoxy)benzenesulfonate
CID 31776008
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene
CID 69380346

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carbonitrile?
The IUPAC name of 4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carbonitrile (CID 21249827) is 4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carbonitrile?
The canonical SMILES for 4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carbonitrile is COc1cc(C#N)nc(Oc2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of 4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carbonitrile?
The InChIKey is UDJFSQWCKWHMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O3/c1-20-12-5-9(8-18)19-13(7-12)21-10-3-2-4-11(6-10)22-14(15,16)17/h2-7H,1H3.
What are the key properties of 4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carbonitrile?
4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carbonitrile has a molecular weight of 310.23 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 21249827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).