3-chloro-5-(trifluoromethoxy)pyridine-4-carbonitrile

C7H2ClF3N2O — CID 130089630

IUPAC3-chloro-5-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1c(Cl)cncc1OC(F)(F)F
InChIInChI=1S/C7H2ClF3N2O/c8-5-2-13-3-6(4(5)1-12)14-7(9,10)11/h2-3H
InChIKeyZXQXVNOBSOMLRF-UHFFFAOYSA-N
MW222.55 g/mol
LogP2.51
Rot. Bonds1

About 3-chloro-5-(trifluoromethoxy)pyridine-4-carbonitrile

3-chloro-5-(trifluoromethoxy)pyridine-4-carbonitrile (PubChem CID 130089630) has the molecular formula C7H2ClF3N2O and a molecular weight of 222.55 g/mol. Its IUPAC name is 3-chloro-5-(trifluoromethoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-(trifluoromethoxy)pyridine-4-carbonitrile
PubChem CID130089630
Molecular FormulaC7H2ClF3N2O
Molecular Weight222.55 g/mol
Exact Mass221.98
IUPAC Name3-chloro-5-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1c(Cl)cncc1OC(F)(F)F
InChIInChI=1S/C7H2ClF3N2O/c8-5-2-13-3-6(4(5)1-12)14-7(9,10)11/h2-3H
InChIKeyZXQXVNOBSOMLRF-UHFFFAOYSA-N
XLogP2.51
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.55
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118844852
2-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119004128
2-amino-4-cyano-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131468991
4-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118804853
4-bromo-2-methyl-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118839363
[4-chloro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089739
ethyl 3-chloro-4-cyano-5-(trifluoromethoxy)benzoate
CID 134651083
2-(aminomethyl)-4-fluoro-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118836746
3-amino-2-nitro-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 133095287
2-iodo-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 90656956
6-amino-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131392806
6-acetyl-2-chloro-3-(trifluoromethoxy)benzonitrile
CID 171004647

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(trifluoromethoxy)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-5-(trifluoromethoxy)pyridine-4-carbonitrile (CID 130089630) is 3-chloro-5-(trifluoromethoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-(trifluoromethoxy)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-5-(trifluoromethoxy)pyridine-4-carbonitrile is N#Cc1c(Cl)cncc1OC(F)(F)F.
What is the InChIKey of 3-chloro-5-(trifluoromethoxy)pyridine-4-carbonitrile?
The InChIKey is ZXQXVNOBSOMLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF3N2O/c8-5-2-13-3-6(4(5)1-12)14-7(9,10)11/h2-3H.
What are the key properties of 3-chloro-5-(trifluoromethoxy)pyridine-4-carbonitrile?
3-chloro-5-(trifluoromethoxy)pyridine-4-carbonitrile has a molecular weight of 222.55 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(trifluoromethoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 130089630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).