2,2,2-trifluoroethyl N-(5-chloro-2-pyridinyl)carbamate

C8H6ClF3N2O2 — CID 39871448

IUPAC2,2,2-trifluoroethyl N-(5-chloro-2-pyridinyl)carbamate
SMILESO=C(Nc1ccc(Cl)cn1)OCC(F)(F)F
InChIInChI=1S/C8H6ClF3N2O2/c9-5-1-2-6(13-3-5)14-7(15)16-4-8(10,11)12/h1-3H,4H2,(H,13,14,15)
InChIKeyPVZNGDSAWRGOII-UHFFFAOYSA-N
MW254.59 g/mol
LogP2.85
Rot. Bonds2

About 2,2,2-trifluoroethyl N-(5-chloro-2-pyridinyl)carbamate

2,2,2-trifluoroethyl N-(5-chloro-2-pyridinyl)carbamate (PubChem CID 39871448) has the molecular formula C8H6ClF3N2O2 and a molecular weight of 254.59 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(5-chloro-2-pyridinyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(5-chloro-2-pyridinyl)carbamate
PubChem CID39871448
Molecular FormulaC8H6ClF3N2O2
Molecular Weight254.59 g/mol
Exact Mass254.01
IUPAC Name2,2,2-trifluoroethyl N-(5-chloro-2-pyridinyl)carbamate
SMILESO=C(Nc1ccc(Cl)cn1)OCC(F)(F)F
InChIInChI=1S/C8H6ClF3N2O2/c9-5-1-2-6(13-3-5)14-7(15)16-4-8(10,11)12/h1-3H,4H2,(H,13,14,15)
InChIKeyPVZNGDSAWRGOII-UHFFFAOYSA-N
XLogP2.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.59
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-[(4-chloropyridin-2-yl)amino]piperidine-1-carboxylate
CID 24894151
2-Acetamido-5-chloropyridine
CID 798653
N-(5-chloropyridin-2-yl)cyclopropanecarboxamide
CID 686089
2-(Boc-amino)pyridine
CID 11206349
1-(5-Chloropyridin-2-yl)-3-(4-fluorophenyl)urea
CID 661457
1,3-Bis(5-chloropyridin-2-yl)urea
CID 1077773
N-(5-Chloro-2-pyridinyl)-3-oxobutanamide
CID 811631
1-(5-Chloropyridin-2-yl)-3-(3-fluorophenyl)urea
CID 878391
Urea, 1-(5-chloro-2-pyridyl)-3-methyl-
CID 99418
2-chloro-N-(5-chloropyridin-2-yl)acetamide
CID 5151148
N-(5-chloropyridin-2-yl)hexanamide
CID 3241720
N-(5-chloropyridin-2-yl)pentanamide
CID 654702

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(5-chloro-2-pyridinyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(5-chloro-2-pyridinyl)carbamate (CID 39871448) is 2,2,2-trifluoroethyl N-(5-chloro-2-pyridinyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(5-chloro-2-pyridinyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(5-chloro-2-pyridinyl)carbamate is O=C(Nc1ccc(Cl)cn1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(5-chloro-2-pyridinyl)carbamate?
The InChIKey is PVZNGDSAWRGOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2O2/c9-5-1-2-6(13-3-5)14-7(15)16-4-8(10,11)12/h1-3H,4H2,(H,13,14,15).
What are the key properties of 2,2,2-trifluoroethyl N-(5-chloro-2-pyridinyl)carbamate?
2,2,2-trifluoroethyl N-(5-chloro-2-pyridinyl)carbamate has a molecular weight of 254.59 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(5-chloro-2-pyridinyl)carbamate is sourced from PubChem (CID 39871448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).