N-(2,3-dichlorophenyl)-3,5,6-trifluoropyridin-2-amine

C11H5Cl2F3N2 — CID 114072308

IUPACN-(2,3-dichlorophenyl)-3,5,6-trifluoropyridin-2-amine
SMILESFc1cc(F)c(Nc2cccc(Cl)c2Cl)nc1F
InChIInChI=1S/C11H5Cl2F3N2/c12-5-2-1-3-8(9(5)13)17-11-7(15)4-6(14)10(16)18-11/h1-4H,(H,17,18)
InChIKeyHJJSYPLRLVBQSI-UHFFFAOYSA-N
MW293.08 g/mol
LogP4.55
Rot. Bonds2

About N-(2,3-dichlorophenyl)-3,5,6-trifluoropyridin-2-amine

N-(2,3-dichlorophenyl)-3,5,6-trifluoropyridin-2-amine (PubChem CID 114072308) has the molecular formula C11H5Cl2F3N2 and a molecular weight of 293.08 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-3,5,6-trifluoropyridin-2-amine.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-3,5,6-trifluoropyridin-2-amine
PubChem CID114072308
Molecular FormulaC11H5Cl2F3N2
Molecular Weight293.08 g/mol
Exact Mass291.98
IUPAC NameN-(2,3-dichlorophenyl)-3,5,6-trifluoropyridin-2-amine
SMILESFc1cc(F)c(Nc2cccc(Cl)c2Cl)nc1F
InChIInChI=1S/C11H5Cl2F3N2/c12-5-2-1-3-8(9(5)13)17-11-7(15)4-6(14)10(16)18-11/h1-4H,(H,17,18)
InChIKeyHJJSYPLRLVBQSI-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.08
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2,3-dichlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 80755046
3,5,6-trifluoro-N-(2-methylsulfanylphenyl)pyridin-2-amine
CID 114072745
6-N-(3-chloro-2-fluorophenyl)-3,5-difluoropyridine-2,6-diamine
CID 114073969
N-(2,4-difluorophenyl)-3,5,6-trifluoropyridin-2-amine
CID 114072340
4-N-(2,3-dichlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80755406
3,5-dichloro-6-N-(2,3-dichlorophenyl)-2-N-methylpyridine-2,6-diamine
CID 102754522
2,3-dichloro-N-(3,4-difluorophenyl)aniline
CID 82536860
N-(4-bromo-3-chlorophenyl)-3,5,6-trifluoropyridin-2-amine
CID 114072741
3,5-dichloro-6-N-(2,3-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102754524
6-chloro-2-N-(2,3-dichlorophenyl)pyridine-2,3-diamine
CID 115473651
4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine
CID 80755119
6-chloro-N-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 55230629

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-3,5,6-trifluoropyridin-2-amine?
The IUPAC name of N-(2,3-dichlorophenyl)-3,5,6-trifluoropyridin-2-amine (CID 114072308) is N-(2,3-dichlorophenyl)-3,5,6-trifluoropyridin-2-amine.
What is the SMILES notation for N-(2,3-dichlorophenyl)-3,5,6-trifluoropyridin-2-amine?
The canonical SMILES for N-(2,3-dichlorophenyl)-3,5,6-trifluoropyridin-2-amine is Fc1cc(F)c(Nc2cccc(Cl)c2Cl)nc1F.
What is the InChIKey of N-(2,3-dichlorophenyl)-3,5,6-trifluoropyridin-2-amine?
The InChIKey is HJJSYPLRLVBQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2F3N2/c12-5-2-1-3-8(9(5)13)17-11-7(15)4-6(14)10(16)18-11/h1-4H,(H,17,18).
What are the key properties of N-(2,3-dichlorophenyl)-3,5,6-trifluoropyridin-2-amine?
N-(2,3-dichlorophenyl)-3,5,6-trifluoropyridin-2-amine has a molecular weight of 293.08 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-3,5,6-trifluoropyridin-2-amine is sourced from PubChem (CID 114072308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).