5,6-dimethyl-3-(trifluoromethoxy)pyridine-2-carbonitrile

C9H7F3N2O — CID 133096333

IUPAC5,6-dimethyl-3-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESCc1cc(OC(F)(F)F)c(C#N)nc1C
InChIInChI=1S/C9H7F3N2O/c1-5-3-8(15-9(10,11)12)7(4-13)14-6(5)2/h3H,1-2H3
InChIKeyFBDOGAKMEKQRER-UHFFFAOYSA-N
MW216.16 g/mol
LogP2.47
Rot. Bonds1

About 5,6-dimethyl-3-(trifluoromethoxy)pyridine-2-carbonitrile

5,6-dimethyl-3-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 133096333) has the molecular formula C9H7F3N2O and a molecular weight of 216.16 g/mol. Its IUPAC name is 5,6-dimethyl-3-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID133096333
Molecular FormulaC9H7F3N2O
Molecular Weight216.16 g/mol
Exact Mass216.05
IUPAC Name5,6-dimethyl-3-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESCc1cc(OC(F)(F)F)c(C#N)nc1C
InChIInChI=1S/C9H7F3N2O/c1-5-3-8(15-9(10,11)12)7(4-13)14-6(5)2/h3H,1-2H3
InChIKeyFBDOGAKMEKQRER-UHFFFAOYSA-N
XLogP2.47
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119012441
5-amino-6-formyl-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095987
5-amino-6-(chloromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131312179
5-bromo-3-methyl-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096047
6-amino-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131630346
methyl 2-amino-6-cyano-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 133096940
2,6-difluoro-3-methyl-5-(trifluoromethoxy)pyridine
CID 130094266
3-amino-6-cyano-5-(trifluoromethoxy)pyridine-2-carboxamide
CID 133095988
2-[2-amino-6-cyano-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 133094812
6-amino-3-methoxy-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131467977
3-amino-6-formyl-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095236
5-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 130091860

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-(trifluoromethoxy)pyridine-2-carbonitrile (CID 133096333) is 5,6-dimethyl-3-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-(trifluoromethoxy)pyridine-2-carbonitrile is Cc1cc(OC(F)(F)F)c(C#N)nc1C.
What is the InChIKey of 5,6-dimethyl-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is FBDOGAKMEKQRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O/c1-5-3-8(15-9(10,11)12)7(4-13)14-6(5)2/h3H,1-2H3.
What are the key properties of 5,6-dimethyl-3-(trifluoromethoxy)pyridine-2-carbonitrile?
5,6-dimethyl-3-(trifluoromethoxy)pyridine-2-carbonitrile has a molecular weight of 216.16 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 133096333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).