3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

C8H6ClF3N2O — CID 175833514

IUPAC3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1ncccc1Cl
InChIInChI=1S/C8H6ClF3N2O/c9-5-2-1-3-13-6(5)7(15)14-4-8(10,11)12/h1-3H,4H2,(H,14,15)
InChIKeyADZMEDMEYMMBHY-UHFFFAOYSA-N
MW238.60 g/mol
LogP2.03
Rot. Bonds2

About 3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 175833514) has the molecular formula C8H6ClF3N2O and a molecular weight of 238.60 g/mol. Its IUPAC name is 3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID175833514
Molecular FormulaC8H6ClF3N2O
Molecular Weight238.60 g/mol
Exact Mass238.01
IUPAC Name3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1ncccc1Cl
InChIInChI=1S/C8H6ClF3N2O/c9-5-2-1-3-13-6(5)7(15)14-4-8(10,11)12/h1-3H,4H2,(H,14,15)
InChIKeyADZMEDMEYMMBHY-UHFFFAOYSA-N
XLogP2.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.60
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 175833514) is 3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is O=C(NCC(F)(F)F)c1ncccc1Cl.
What is the InChIKey of 3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is ADZMEDMEYMMBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2O/c9-5-2-1-3-13-6(5)7(15)14-4-8(10,11)12/h1-3H,4H2,(H,14,15).
What are the key properties of 3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 238.60 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 175833514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).