4,6-dichloro-5-(trifluoromethoxy)pyridin-2-amine

C6H3Cl2F3N2O — CID 130093745

IUPAC4,6-dichloro-5-(trifluoromethoxy)pyridin-2-amine
SMILESNc1cc(Cl)c(OC(F)(F)F)c(Cl)n1
InChIInChI=1S/C6H3Cl2F3N2O/c7-2-1-3(12)13-5(8)4(2)14-6(9,10)11/h1H,(H2,12,13)
InChIKeyWWJRVVLQEQDEGQ-UHFFFAOYSA-N
MW247.00 g/mol
LogP2.87
Rot. Bonds1

About 4,6-dichloro-5-(trifluoromethoxy)pyridin-2-amine

4,6-dichloro-5-(trifluoromethoxy)pyridin-2-amine (PubChem CID 130093745) has the molecular formula C6H3Cl2F3N2O and a molecular weight of 247.00 g/mol. Its IUPAC name is 4,6-dichloro-5-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-5-(trifluoromethoxy)pyridin-2-amine
PubChem CID130093745
Molecular FormulaC6H3Cl2F3N2O
Molecular Weight247.00 g/mol
Exact Mass245.96
IUPAC Name4,6-dichloro-5-(trifluoromethoxy)pyridin-2-amine
SMILESNc1cc(Cl)c(OC(F)(F)F)c(Cl)n1
InChIInChI=1S/C6H3Cl2F3N2O/c7-2-1-3(12)13-5(8)4(2)14-6(9,10)11/h1H,(H2,12,13)
InChIKeyWWJRVVLQEQDEGQ-UHFFFAOYSA-N
XLogP2.87
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.00
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6-fluoro-5-(trifluoromethoxy)pyridin-2-amine
CID 131190696
6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-2-amine
CID 131029007
[4,6-dichloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 130093865
6-amino-2-chloro-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 131492432
3-chloro-5-fluoro-2-(trifluoromethoxy)aniline
CID 130792876
5-amino-3-chloro-2-(trifluoromethoxy)phenol
CID 130820581
1,5-dichloro-2-(trifluoromethoxy)-3-(trifluoromethyl)benzene
CID 19102260
2-[4-amino-6-chloro-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118811812
6-amino-2-chloro-5-(trifluoromethoxy)pyridin-3-ol
CID 118999095
5-bromo-3-chloro-6-(trifluoromethoxy)pyridin-2-amine
CID 131011038
2-chloro-6-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)pyridine
CID 119008935
3-(aminomethyl)-4-chloro-6-(trifluoromethoxy)pyridin-2-amine
CID 119016292

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 4,6-dichloro-5-(trifluoromethoxy)pyridin-2-amine (CID 130093745) is 4,6-dichloro-5-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 4,6-dichloro-5-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 4,6-dichloro-5-(trifluoromethoxy)pyridin-2-amine is Nc1cc(Cl)c(OC(F)(F)F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is WWJRVVLQEQDEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2F3N2O/c7-2-1-3(12)13-5(8)4(2)14-6(9,10)11/h1H,(H2,12,13).
What are the key properties of 4,6-dichloro-5-(trifluoromethoxy)pyridin-2-amine?
4,6-dichloro-5-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 247.00 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 130093745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).