N-chloro-2-(trifluoromethoxy)-1H-pyridin-2-amine

C6H6ClF3N2O — CID 158750135

IUPACN-chloro-2-(trifluoromethoxy)-1H-pyridin-2-amine
SMILESFC(F)(F)OC1(NCl)C=CC=CN1
InChIInChI=1S/C6H6ClF3N2O/c7-12-5(13-6(8,9)10)3-1-2-4-11-5/h1-4,11-12H
InChIKeyCXPRHMXMSYUHJF-UHFFFAOYSA-N
MW214.57 g/mol
LogP1.59
Rot. Bonds2

About N-chloro-2-(trifluoromethoxy)-1H-pyridin-2-amine

N-chloro-2-(trifluoromethoxy)-1H-pyridin-2-amine (PubChem CID 158750135) has the molecular formula C6H6ClF3N2O and a molecular weight of 214.57 g/mol. Its IUPAC name is N-chloro-2-(trifluoromethoxy)-1H-pyridin-2-amine.

Molecular Properties

Compound NameN-chloro-2-(trifluoromethoxy)-1H-pyridin-2-amine
PubChem CID158750135
Molecular FormulaC6H6ClF3N2O
Molecular Weight214.57 g/mol
Exact Mass214.01
IUPAC NameN-chloro-2-(trifluoromethoxy)-1H-pyridin-2-amine
SMILESFC(F)(F)OC1(NCl)C=CC=CN1
InChIInChI=1S/C6H6ClF3N2O/c7-12-5(13-6(8,9)10)3-1-2-4-11-5/h1-4,11-12H
InChIKeyCXPRHMXMSYUHJF-UHFFFAOYSA-N
XLogP1.59
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.57
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethoxy)-2-fluoro-1H-pyridine
CID 146443817
2-(difluoromethoxy)-1H-pyridin-2-amine
CID 150558154
2-(2,2,2-trifluoroethoxy)-1H-pyridin-2-amine
CID 152366964

Frequently Asked Questions

What is the IUPAC name of N-chloro-2-(trifluoromethoxy)-1H-pyridin-2-amine?
The IUPAC name of N-chloro-2-(trifluoromethoxy)-1H-pyridin-2-amine (CID 158750135) is N-chloro-2-(trifluoromethoxy)-1H-pyridin-2-amine.
What is the SMILES notation for N-chloro-2-(trifluoromethoxy)-1H-pyridin-2-amine?
The canonical SMILES for N-chloro-2-(trifluoromethoxy)-1H-pyridin-2-amine is FC(F)(F)OC1(NCl)C=CC=CN1.
What is the InChIKey of N-chloro-2-(trifluoromethoxy)-1H-pyridin-2-amine?
The InChIKey is CXPRHMXMSYUHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF3N2O/c7-12-5(13-6(8,9)10)3-1-2-4-11-5/h1-4,11-12H.
What are the key properties of N-chloro-2-(trifluoromethoxy)-1H-pyridin-2-amine?
N-chloro-2-(trifluoromethoxy)-1H-pyridin-2-amine has a molecular weight of 214.57 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2-(trifluoromethoxy)-1H-pyridin-2-amine is sourced from PubChem (CID 158750135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).