2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl carbamate

C9H9ClF3N3O2 — CID 83204495

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl carbamate
SMILESNC(=O)OCCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H9ClF3N3O2/c10-6-3-5(9(11,12)13)4-16-7(6)15-1-2-18-8(14)17/h3-4H,1-2H2,(H2,14,17)(H,15,16)
InChIKeyNWGXATRVWSJDQI-UHFFFAOYSA-N
MW283.64 g/mol
LogP2.26
Rot. Bonds4

About 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl carbamate

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl carbamate (PubChem CID 83204495) has the molecular formula C9H9ClF3N3O2 and a molecular weight of 283.64 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl carbamate
PubChem CID83204495
Molecular FormulaC9H9ClF3N3O2
Molecular Weight283.64 g/mol
Exact Mass283.03
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl carbamate
SMILESNC(=O)OCCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H9ClF3N3O2/c10-6-3-5(9(11,12)13)4-16-7(6)15-1-2-18-8(14)17/h3-4H,1-2H2,(H2,14,17)(H,15,16)
InChIKeyNWGXATRVWSJDQI-UHFFFAOYSA-N
XLogP2.26
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.64
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
CID 2773862
2-aminooxy-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide;hydrochloride
CID 18526045
N-(2-aminoethyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 119383283
3-chloro-N-(2-cyclohexyloxyethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 61063880
N-(2-amino-2-methylpropyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide;dihydrochloride
CID 119627496
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]formamide
CID 145422813
3-chloro-N-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-amine
CID 107320716
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 95341584
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 53410038
N-(3-butoxypropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 115569610
3-chloro-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 28522071
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide
CID 3847361

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl carbamate?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl carbamate (CID 83204495) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl carbamate?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl carbamate is NC(=O)OCCNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl carbamate?
The InChIKey is NWGXATRVWSJDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N3O2/c10-6-3-5(9(11,12)13)4-16-7(6)15-1-2-18-8(14)17/h3-4H,1-2H2,(H2,14,17)(H,15,16).
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl carbamate?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl carbamate has a molecular weight of 283.64 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl carbamate is sourced from PubChem (CID 83204495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).